1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone

C10H10ClNO — CID 177077962

IUPAC1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone
SMILESCC(=O)c1cnc(Cl)c2c1CCC2
InChIInChI=1S/C10H10ClNO/c1-6(13)9-5-12-10(11)8-4-2-3-7(8)9/h5H,2-4H2,1H3
InChIKeyJBLKWCQVRIEGSU-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.43
Rot. Bonds1

About 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone

1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone (PubChem CID 177077962) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone
PubChem CID177077962
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone
SMILESCC(=O)c1cnc(Cl)c2c1CCC2
InChIInChI=1S/C10H10ClNO/c1-6(13)9-5-12-10(11)8-4-2-3-7(8)9/h5H,2-4H2,1H3
InChIKeyJBLKWCQVRIEGSU-UHFFFAOYSA-N
XLogP2.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-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-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone?
The IUPAC name of 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone (CID 177077962) is 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone.
What is the SMILES notation for 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone?
The canonical SMILES for 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone is CC(=O)c1cnc(Cl)c2c1CCC2.
What is the InChIKey of 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone?
The InChIKey is JBLKWCQVRIEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6(13)9-5-12-10(11)8-4-2-3-7(8)9/h5H,2-4H2,1H3.
What are the key properties of 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone?
1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone has a molecular weight of 195.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone is sourced from PubChem (CID 177077962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).