4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid

C10H13NO3 — CID 79208618

IUPAC4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(N2CCCC2=O)C1
InChIInChI=1S/C10H13NO3/c12-9-2-1-5-11(9)8-4-3-7(6-8)10(13)14/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKeyHKUHDSCDNLHFIL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.64
Rot. Bonds2

About 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid

4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208618) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
PubChem CID79208618
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(N2CCCC2=O)C1
InChIInChI=1S/C10H13NO3/c12-9-2-1-5-11(9)8-4-3-7(6-8)10(13)14/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKeyHKUHDSCDNLHFIL-UHFFFAOYSA-N
XLogP0.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.64
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 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid (CID 79208618) is 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(N2CCCC2=O)C1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HKUHDSCDNLHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-2-1-5-11(9)8-4-3-7(6-8)10(13)14/h3-4,7-8H,1-2,5-6H2,(H,13,14).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).