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

C6H7NO — CID 13293130

IUPAC1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1CC2CC=CN12
InChIInChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2
InChIKeyYZBQHRLRFGPBSL-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.50
Rot. Bonds

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

1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 13293130) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID13293130
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1CC2CC=CN12
InChIInChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2
InChIKeyYZBQHRLRFGPBSL-UHFFFAOYSA-N
XLogP0.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 1-azabicyclo[3.2.0]hept-2-en-7-one (CID 13293130) is 1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 1-azabicyclo[3.2.0]hept-2-en-7-one is O=C1CC2CC=CN12.
What is the InChIKey of 1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is YZBQHRLRFGPBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2.
What are the key properties of 1-azabicyclo[3.2.0]hept-2-en-7-one?
1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 109.13 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 13293130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).