6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid

C15H23NO3 — CID 3151041

IUPAC6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CCC(C(=O)O)C(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H23NO3/c1-10-7-8-12(15(18)19)13(9-10)14(17)16-11-5-3-2-4-6-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVQURAOWMDIMNCC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds3

About 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid

6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid (PubChem CID 3151041) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid
PubChem CID3151041
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CCC(C(=O)O)C(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H23NO3/c1-10-7-8-12(15(18)19)13(9-10)14(17)16-11-5-3-2-4-6-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVQURAOWMDIMNCC-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-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6470296
6-(Pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
6-Allylcarbamoyl-cyclohex-3-enecarboxylic acid
CID 350821
6-(Cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2901796
4-Chloro-6-[(cyclohexylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 2939304
3,4-Dimethyl-6-{[1-(propan-2-yl)piperidin-4-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
CID 6468025
6-{[(2-Ethylhexyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 2932169
6-[(2-Methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4690722
6-[(Cyclopentylamino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 4744732
3-(N-Cyclohexylcarbamoyl)-5-norbornene-2-carboxylic acid
CID 4301998
2,4-Diethyl-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-8-carboxylic acid
CID 458485

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid (CID 3151041) is 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid is CC1=CCC(C(=O)O)C(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is VQURAOWMDIMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-7-8-12(15(18)19)13(9-10)14(17)16-11-5-3-2-4-6-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid?
6-(cyclohexylcarbamoyl)-4-methylcyclohex-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-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 3151041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).