6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C13H19NO3 — CID 2931920

IUPAC6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NC1CCCC1
InChIInChI=1S/C13H19NO3/c15-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)13(16)17/h3-4,9-11H,1-2,5-8H2,(H,14,15)(H,16,17)
InChIKeyGFFQGBWDOUPKBF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.71
Rot. Bonds3

About 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 2931920) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID2931920
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NC1CCCC1
InChIInChI=1S/C13H19NO3/c15-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)13(16)17/h3-4,9-11H,1-2,5-8H2,(H,14,15)(H,16,17)
InChIKeyGFFQGBWDOUPKBF-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.71
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

3-(Butylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3262185
6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4659978
6-(Pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 645904
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-{N-[3-(2-oxopyrrolidinyl)propyl]carbamoyl}cyclohex-3-enecarboxylic acid
CID 17379032
3-Isobutylcarbamoyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 652879
3-{[(2-Ethylhexyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2932464

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 2931920) is 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)NC1CCCC1.
What is the InChIKey of 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is GFFQGBWDOUPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)13(16)17/h3-4,9-11H,1-2,5-8H2,(H,14,15)(H,16,17).
What are the key properties of 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2931920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).