5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one

C10H11NO — CID 20546924

IUPAC5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one
SMILESO=C1CCCc2cnccc2C1
InChIInChI=1S/C10H11NO/c12-10-3-1-2-9-7-11-5-4-8(9)6-10/h4-5,7H,1-3,6H2
InChIKeyLBIXCWGPVISDTA-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.53
Rot. Bonds

About 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one

5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one (PubChem CID 20546924) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one.

Molecular Properties

Compound Name5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one
PubChem CID20546924
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one
SMILESO=C1CCCc2cnccc2C1
InChIInChI=1S/C10H11NO/c12-10-3-1-2-9-7-11-5-4-8(9)6-10/h4-5,7H,1-3,6H2
InChIKeyLBIXCWGPVISDTA-UHFFFAOYSA-N
XLogP1.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-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 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one?
The IUPAC name of 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one (CID 20546924) is 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one.
What is the SMILES notation for 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one?
The canonical SMILES for 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one is O=C1CCCc2cnccc2C1.
What is the InChIKey of 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one?
The InChIKey is LBIXCWGPVISDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-10-3-1-2-9-7-11-5-4-8(9)6-10/h4-5,7H,1-3,6H2.
What are the key properties of 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one?
5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one has a molecular weight of 161.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one is sourced from PubChem (CID 20546924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).