3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C14H19NO3 — CID 2931588

IUPAC3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO3/c16-13(15-10-3-1-2-4-10)11-8-5-6-9(7-8)12(11)14(17)18/h5-6,8-12H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyGZOFISGEEDYDIM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds3

About 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 2931588) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID2931588
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO3/c16-13(15-10-3-1-2-4-10)11-8-5-6-9(7-8)12(11)14(17)18/h5-6,8-12H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyGZOFISGEEDYDIM-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
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 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 2931588) is 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1C2C=CC(C2)C1C(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is GZOFISGEEDYDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(15-10-3-1-2-4-10)11-8-5-6-9(7-8)12(11)14(17)18/h5-6,8-12H,1-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 2931588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).