2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one

C8H9NO2 — CID 58062443

IUPAC2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC(=O)C1=CCC2CC(=O)N12
InChIInChI=1S/C8H9NO2/c1-5(10)7-3-2-6-4-8(11)9(6)7/h3,6H,2,4H2,1H3
InChIKeyCNNQBPWRGKYJAC-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.46
Rot. Bonds1

About 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one

2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 58062443) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID58062443
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC(=O)C1=CCC2CC(=O)N12
InChIInChI=1S/C8H9NO2/c1-5(10)7-3-2-6-4-8(11)9(6)7/h3,6H,2,4H2,1H3
InChIKeyCNNQBPWRGKYJAC-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one with MolForge

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Related Compounds

(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 22901366
2-Acetyl-6-(methylamino)-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 58849902
CID 59173250
CID 59173250
(5R,6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 59173251
(5R,6Z)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 59173252
2-Acetyl-6-ethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 60140304
2-Acetyl-7-(dimethylamino)-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 89503172
(5R)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbaldehyde
CID 140397329
(5R)-2-ethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 141988421
2-Ethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 142659692
(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane
CID 158698492
(5R)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane
CID 158698493

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 58062443) is 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one is CC(=O)C1=CCC2CC(=O)N12.
What is the InChIKey of 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is CNNQBPWRGKYJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5(10)7-3-2-6-4-8(11)9(6)7/h3,6H,2,4H2,1H3.
What are the key properties of 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 151.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 58062443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).