6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

C15H23NO3 — CID 4744732

IUPAC6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
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)
InChIKeyHDYHOIBFUFLCSP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds3

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

6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (PubChem CID 4744732) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
PubChem CID4744732
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
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)
InChIKeyHDYHOIBFUFLCSP-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4659978
6-Cyclohexylcarbamoyl-4-methyl-cyclohex-3-enecarboxylic acid
CID 3151041
3,4-Dimethyl-6-{[1-(propan-2-yl)piperidin-4-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
CID 6468025
3,4-Dimethyl-6-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
CID 17379031
2,4-Diethyl-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-8-carboxylic acid
CID 458485
6-(Cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2931920
6-(Cycloheptylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2931321
6-(Cyclohexylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2932863
6-(Cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 4744731
6-[(3,3-Dimethylbutan-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6468227
3,4-Dimethyl-6-(pyrrolidin-1-ylcarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 17376862
6-[(1-Ethylpiperidin-4-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 17379136

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CID 4744732) is 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid 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-carboxylic acid?
The InChIKey is HDYHOIBFUFLCSP-UHFFFAOYSA-N. 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).
What are the key properties of 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 4744732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).