6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate

C15H22NO3- — CID 4744731

IUPAC6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
SMILESCC1=C(C)CC(C(=O)NC2CCCC2)C(C(=O)[O-])C1
InChIInChI=1S/C15H23NO3/c1-9-7-12(13(15(18)19)8-10(9)2)14(17)16-11-5-3-4-6-11/h11-13H,3-8H2,1-2H3,(H,16,17)(H,18,19)/p-1
InChIKeyHDYHOIBFUFLCSP-UHFFFAOYSA-M
MW264.34 g/mol
LogP1.16
Rot. Bonds3

About 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate

6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate (PubChem CID 4744731) has the molecular formula C15H22NO3- and a molecular weight of 264.34 g/mol. Its IUPAC name is 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
PubChem CID4744731
Molecular FormulaC15H22NO3-
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
SMILESCC1=C(C)CC(C(=O)NC2CCCC2)C(C(=O)[O-])C1
InChIInChI=1S/C15H23NO3/c1-9-7-12(13(15(18)19)8-10(9)2)14(17)16-11-5-3-4-6-11/h11-13H,3-8H2,1-2H3,(H,16,17)(H,18,19)/p-1
InChIKeyHDYHOIBFUFLCSP-UHFFFAOYSA-M
XLogP1.16
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate 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 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate?
The IUPAC name of 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate (CID 4744731) is 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate is CC1=C(C)CC(C(=O)NC2CCCC2)C(C(=O)[O-])C1.
What is the InChIKey of 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate?
The InChIKey is HDYHOIBFUFLCSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23NO3/c1-9-7-12(13(15(18)19)8-10(9)2)14(17)16-11-5-3-4-6-11/h11-13H,3-8H2,1-2H3,(H,16,17)(H,18,19)/p-1.
What are the key properties of 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate?
6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate has a molecular weight of 264.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 4744731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).