1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone

C12H15NO — CID 143088913

IUPAC1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone
SMILESCC(=O)N1CCC2=C(C=CCC=C2)C1
InChIInChI=1S/C12H15NO/c1-10(14)13-8-7-11-5-3-2-4-6-12(11)9-13/h3-6H,2,7-9H2,1H3
InChIKeyLFMICXHERDQYOI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.05
Rot. Bonds

About 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone

1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone (PubChem CID 143088913) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone
PubChem CID143088913
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone
SMILESCC(=O)N1CCC2=C(C=CCC=C2)C1
InChIInChI=1S/C12H15NO/c1-10(14)13-8-7-11-5-3-2-4-6-12(11)9-13/h3-6H,2,7-9H2,1H3
InChIKeyLFMICXHERDQYOI-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone 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 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone?
The IUPAC name of 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone (CID 143088913) is 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone is CC(=O)N1CCC2=C(C=CCC=C2)C1.
What is the InChIKey of 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone?
The InChIKey is LFMICXHERDQYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(14)13-8-7-11-5-3-2-4-6-12(11)9-13/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone?
1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)ethanone is sourced from PubChem (CID 143088913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).