3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride

C15H20ClNO2 — CID 82522956

IUPAC3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
SMILESCCC(C)n1c2c(cc(CCC(=O)Cl)c1=O)CCC2
InChIInChI=1S/C15H20ClNO2/c1-3-10(2)17-13-6-4-5-11(13)9-12(15(17)19)7-8-14(16)18/h9-10H,3-8H2,1-2H3
InChIKeyGVFRQTZPOJAMIS-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.01
Rot. Bonds5

About 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride

3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride (PubChem CID 82522956) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
PubChem CID82522956
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
SMILESCCC(C)n1c2c(cc(CCC(=O)Cl)c1=O)CCC2
InChIInChI=1S/C15H20ClNO2/c1-3-10(2)17-13-6-4-5-11(13)9-12(15(17)19)7-8-14(16)18/h9-10H,3-8H2,1-2H3
InChIKeyGVFRQTZPOJAMIS-UHFFFAOYSA-N
XLogP3.01
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride 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 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
The IUPAC name of 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride (CID 82522956) is 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride.
What is the SMILES notation for 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
The canonical SMILES for 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride is CCC(C)n1c2c(cc(CCC(=O)Cl)c1=O)CCC2.
What is the InChIKey of 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
The InChIKey is GVFRQTZPOJAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-10(2)17-13-6-4-5-11(13)9-12(15(17)19)7-8-14(16)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride?
3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride has a molecular weight of 281.78 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butan-2-yl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride is sourced from PubChem (CID 82522956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).