6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H23NO3 — CID 63632116

IUPAC6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-16(10-11-6-2-3-7-11)14(17)12-8-4-5-9-13(12)15(18)19/h4-5,11-13H,2-3,6-10H2,1H3,(H,18,19)
InChIKeyGHKCMFDCHMJTIG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds4

About 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 63632116) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID63632116
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-16(10-11-6-2-3-7-11)14(17)12-8-4-5-9-13(12)15(18)19/h4-5,11-13H,2-3,6-10H2,1H3,(H,18,19)
InChIKeyGHKCMFDCHMJTIG-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 63632116) is 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CN(CC1CCCC1)C(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is GHKCMFDCHMJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(10-11-6-2-3-7-11)14(17)12-8-4-5-9-13(12)15(18)19/h4-5,11-13H,2-3,6-10H2,1H3,(H,18,19).
What are the key properties of 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 63632116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).