7-azabicyclo[4.2.0]octan-2-one

C7H11NO — CID 83671541

IUPAC7-azabicyclo[4.2.0]octan-2-one
SMILESO=C1CCCC2NCC12
InChIInChI=1S/C7H11NO/c9-7-3-1-2-6-5(7)4-8-6/h5-6,8H,1-4H2
InChIKeyWCBMFBUOPWWTRK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.33
Rot. Bonds

About 7-azabicyclo[4.2.0]octan-2-one

7-azabicyclo[4.2.0]octan-2-one (PubChem CID 83671541) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-azabicyclo[4.2.0]octan-2-one.

Molecular Properties

Compound Name7-azabicyclo[4.2.0]octan-2-one
PubChem CID83671541
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-azabicyclo[4.2.0]octan-2-one
SMILESO=C1CCCC2NCC12
InChIInChI=1S/C7H11NO/c9-7-3-1-2-6-5(7)4-8-6/h5-6,8H,1-4H2
InChIKeyWCBMFBUOPWWTRK-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-azabicyclo[4.2.0]octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.2.0]octan-2-one?
The IUPAC name of 7-azabicyclo[4.2.0]octan-2-one (CID 83671541) is 7-azabicyclo[4.2.0]octan-2-one.
What is the SMILES notation for 7-azabicyclo[4.2.0]octan-2-one?
The canonical SMILES for 7-azabicyclo[4.2.0]octan-2-one is O=C1CCCC2NCC12.
What is the InChIKey of 7-azabicyclo[4.2.0]octan-2-one?
The InChIKey is WCBMFBUOPWWTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-3-1-2-6-5(7)4-8-6/h5-6,8H,1-4H2.
What are the key properties of 7-azabicyclo[4.2.0]octan-2-one?
7-azabicyclo[4.2.0]octan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.2.0]octan-2-one is sourced from PubChem (CID 83671541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).