3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one

C9H15NO2 — CID 91300095

IUPAC3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one
SMILESCC=C(CC)N1CCC(O)C1=O
InChIInChI=1S/C9H15NO2/c1-3-7(4-2)10-6-5-8(11)9(10)12/h3,8,11H,4-6H2,1-2H3
InChIKeyJLTYPOIVNJCBHE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.89
Rot. Bonds2

About 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one

3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one (PubChem CID 91300095) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one
PubChem CID91300095
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one
SMILESCC=C(CC)N1CCC(O)C1=O
InChIInChI=1S/C9H15NO2/c1-3-7(4-2)10-6-5-8(11)9(10)12/h3,8,11H,4-6H2,1-2H3
InChIKeyJLTYPOIVNJCBHE-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-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-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one (CID 91300095) is 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one is CC=C(CC)N1CCC(O)C1=O.
What is the InChIKey of 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one?
The InChIKey is JLTYPOIVNJCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7(4-2)10-6-5-8(11)9(10)12/h3,8,11H,4-6H2,1-2H3.
What are the key properties of 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one?
3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one is sourced from PubChem (CID 91300095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).