6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H23NO3 — CID 4690722

IUPAC6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CCCCC1NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h3-4,10-13H,2,5-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyHQGJKFJOZCPTLE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.35
Rot. Bonds3

About 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 4690722) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID4690722
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CCCCC1NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h3-4,10-13H,2,5-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyHQGJKFJOZCPTLE-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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
6-Cyclohexylcarbamoyl-4-methyl-cyclohex-3-enecarboxylic acid
CID 3151041
6-{[(2-Ethylhexyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 2932169
6-{[(1-Bicyclo[2.2.1]hept-2-ylethyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 2932593
6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 21948
3-(N-Cyclohexylcarbamoyl)-5-norbornene-2-carboxylic acid
CID 4301998
6-(Cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2931920

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 4690722) is 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CC1CCCCC1NC(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is HQGJKFJOZCPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h3-4,10-13H,2,5-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 4690722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).