2-azabicyclo[6.2.0]dec-1-en-7-one

C9H13NO — CID 91255714

IUPAC2-azabicyclo[6.2.0]dec-1-en-7-one
SMILESO=C1CCCC/N=C2/CCC12
InChIInChI=1S/C9H13NO/c11-9-3-1-2-6-10-8-5-4-7(8)9/h7H,1-6H2/b10-8-
InChIKeySCCZWHUKQUQUCX-NTMALXAHSA-N
MW151.21 g/mol
LogP1.59
Rot. Bonds

About 2-azabicyclo[6.2.0]dec-1-en-7-one

2-azabicyclo[6.2.0]dec-1-en-7-one (PubChem CID 91255714) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-azabicyclo[6.2.0]dec-1-en-7-one.

Molecular Properties

Compound Name2-azabicyclo[6.2.0]dec-1-en-7-one
PubChem CID91255714
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-azabicyclo[6.2.0]dec-1-en-7-one
SMILESO=C1CCCC/N=C2/CCC12
InChIInChI=1S/C9H13NO/c11-9-3-1-2-6-10-8-5-4-7(8)9/h7H,1-6H2/b10-8-
InChIKeySCCZWHUKQUQUCX-NTMALXAHSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone
CID 123508346
cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
CID 83963276
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbutan-1-one
CID 83963279
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one
CID 83963280
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentan-1-one
CID 83963281
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one
CID 83963283
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethyl-4-methylpentan-1-one
CID 83963284
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,4-dimethylpentan-1-one
CID 83963285
2-Cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
CID 83963297

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[6.2.0]dec-1-en-7-one?
The IUPAC name of 2-azabicyclo[6.2.0]dec-1-en-7-one (CID 91255714) is 2-azabicyclo[6.2.0]dec-1-en-7-one.
What is the SMILES notation for 2-azabicyclo[6.2.0]dec-1-en-7-one?
The canonical SMILES for 2-azabicyclo[6.2.0]dec-1-en-7-one is O=C1CCCC/N=C2/CCC12.
What is the InChIKey of 2-azabicyclo[6.2.0]dec-1-en-7-one?
The InChIKey is SCCZWHUKQUQUCX-NTMALXAHSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-3-1-2-6-10-8-5-4-7(8)9/h7H,1-6H2/b10-8-.
What are the key properties of 2-azabicyclo[6.2.0]dec-1-en-7-one?
2-azabicyclo[6.2.0]dec-1-en-7-one has a molecular weight of 151.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[6.2.0]dec-1-en-7-one is sourced from PubChem (CID 91255714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).