1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid

C15H23NO3 — CID 43163118

IUPAC1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2CC=CCC2)(C(=O)O)CC1
InChIInChI=1S/C15H23NO3/c1-11-7-9-15(10-8-11,14(18)19)16-13(17)12-5-3-2-4-6-12/h2-3,11-12H,4-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyUULKQHPGPGRWEQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds3

About 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid

1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43163118) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid
PubChem CID43163118
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2CC=CCC2)(C(=O)O)CC1
InChIInChI=1S/C15H23NO3/c1-11-7-9-15(10-8-11,14(18)19)16-13(17)12-5-3-2-4-6-12/h2-3,11-12H,4-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyUULKQHPGPGRWEQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid (CID 43163118) is 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)C2CC=CCC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is UULKQHPGPGRWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-7-9-15(10-8-11,14(18)19)16-13(17)12-5-3-2-4-6-12/h2-3,11-12H,4-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid?
1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-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 1-(cyclohex-3-ene-1-carbonylamino)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43163118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).