4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate

C14H21NO3 — CID 75381027

IUPAC4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate
SMILESCC(CCN1CCCC1=O)OC(=O)C1=CCCC1
InChIInChI=1S/C14H21NO3/c1-11(8-10-15-9-4-7-13(15)16)18-14(17)12-5-2-3-6-12/h5,11H,2-4,6-10H2,1H3
InChIKeyIESQKPXIWVOBJS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds5

About 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate

4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate (PubChem CID 75381027) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate
PubChem CID75381027
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate
SMILESCC(CCN1CCCC1=O)OC(=O)C1=CCCC1
InChIInChI=1S/C14H21NO3/c1-11(8-10-15-9-4-7-13(15)16)18-14(17)12-5-2-3-6-12/h5,11H,2-4,6-10H2,1H3
InChIKeyIESQKPXIWVOBJS-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate (CID 75381027) is 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate is CC(CCN1CCCC1=O)OC(=O)C1=CCCC1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate?
The InChIKey is IESQKPXIWVOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(8-10-15-9-4-7-13(15)16)18-14(17)12-5-2-3-6-12/h5,11H,2-4,6-10H2,1H3.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate?
4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate is sourced from PubChem (CID 75381027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).