7-(2-cyano-5-oxocyclopentyl)heptanoic acid

C13H19NO3 — CID 71357363

IUPAC7-(2-cyano-5-oxocyclopentyl)heptanoic acid
SMILESN#CC1CCC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C13H19NO3/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h10-11H,1-8H2,(H,16,17)
InChIKeyFIQRNTLVJROGQW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds7

About 7-(2-cyano-5-oxocyclopentyl)heptanoic acid

7-(2-cyano-5-oxocyclopentyl)heptanoic acid (PubChem CID 71357363) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 7-(2-cyano-5-oxocyclopentyl)heptanoic acid.

Molecular Properties

Compound Name7-(2-cyano-5-oxocyclopentyl)heptanoic acid
PubChem CID71357363
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name7-(2-cyano-5-oxocyclopentyl)heptanoic acid
SMILESN#CC1CCC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C13H19NO3/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h10-11H,1-8H2,(H,16,17)
InChIKeyFIQRNTLVJROGQW-UHFFFAOYSA-N
XLogP2.53
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(2-cyano-5-oxocyclopentyl)heptanoic acid 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-(2-cyano-5-oxocyclopentyl)heptanoic acid?
The IUPAC name of 7-(2-cyano-5-oxocyclopentyl)heptanoic acid (CID 71357363) is 7-(2-cyano-5-oxocyclopentyl)heptanoic acid.
What is the SMILES notation for 7-(2-cyano-5-oxocyclopentyl)heptanoic acid?
The canonical SMILES for 7-(2-cyano-5-oxocyclopentyl)heptanoic acid is N#CC1CCC(=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-(2-cyano-5-oxocyclopentyl)heptanoic acid?
The InChIKey is FIQRNTLVJROGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h10-11H,1-8H2,(H,16,17).
What are the key properties of 7-(2-cyano-5-oxocyclopentyl)heptanoic acid?
7-(2-cyano-5-oxocyclopentyl)heptanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyano-5-oxocyclopentyl)heptanoic acid is sourced from PubChem (CID 71357363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).