(1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

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CAS
95999-99-8
Size
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Purity
96%
Price
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Catalog Number

ACM95999998

Product Name

(1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

Structure

Structure

CAS

95999-99-8

Category

Heterocyclic Organic Compound

Synonyms

CTK5H8519, (1S,6S)-5-METHYLIDENE-2-OXA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE, 98975-16-7, AG-H-94680, 5-METHYLIDENE-2-OXA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE, 95999-99-8

IUPAC Name

2-methylidene-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione

Molecular Weight

182.176600 [g/mol]

Molecular Formula

C₈H₁₀N₂O₃

InChI Key

BSWAKPMUPFLVGI-UHFFFAOYSA-N

Exact Mass

182.06900

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the PubChem CID of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The PubChem CID is 57357173.

What is the molecular formula of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The molecular formula is C8H10N2O3.

What is the synonym for (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The synonym is 98975-16-7.

What is the molecular weight of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The molecular weight is 182.18 g/mol.

What is the IUPAC name of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The IUPAC name is (1S,6S)-5-methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione.

What is the InChI of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The InChI is InChI=1S/C8H10N2O3/c1-4-2-3-13-8-7(12)9-5(4)6(11)10-8/h5,8H,1-3H2,(H,9,12)(H,10,11)/t5-,8-/m0/s1.

What is the InChIKey of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The InChIKey is BSWAKPMUPFLVGI-XNCJUZBTSA-N.

What is the Canonical SMILES of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The Canonical SMILES is C=C1CCOC2C(=O)NC1C(=O)N2.

What is the Isomeric SMILES of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The Isomeric SMILES is C=C1CCO[C@H]2C(=O)N[C@@H]1C(=O)N2.

Is (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione a Canonicalized compound?

Yes, it is a Canonicalized compound.

What is the XLogP3-AA value of (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione?

The XLogP3-AA value is -0.8.

How many hydrogen bond donor counts does (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione have?

It has 3 hydrogen bond acceptor counts.

How many defined atom stereocenter counts does (1S,6S)-5-Methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione have?

It has 2 defined atom stereocenter counts.

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