3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one

C12H18N2O2 — CID 104788696

IUPAC3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N2O2/c1-9(12(16)14-6-2-3-7-14)13-10-4-5-11(15)8-10/h8-9,13H,2-7H2,1H3
InChIKeyKOWBNXZSNQLBGH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.83
Rot. Bonds3

About 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one (PubChem CID 104788696) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
PubChem CID104788696
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N2O2/c1-9(12(16)14-6-2-3-7-14)13-10-4-5-11(15)8-10/h8-9,13H,2-7H2,1H3
InChIKeyKOWBNXZSNQLBGH-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one 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 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one (CID 104788696) is 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one is CC(NC1=CC(=O)CC1)C(=O)N1CCCC1.
What is the InChIKey of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
The InChIKey is KOWBNXZSNQLBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(12(16)14-6-2-3-7-14)13-10-4-5-11(15)8-10/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).