2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one

C8H11NO3 — CID 21269438

IUPAC2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one
SMILESC=C(C)C(=O)N1CCC(=O)C1O
InChIInChI=1S/C8H11NO3/c1-5(2)7(11)9-4-3-6(10)8(9)12/h8,12H,1,3-4H2,2H3
InChIKeyDOCXFRBRDVNYBI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.32
Rot. Bonds1

About 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one

2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one (PubChem CID 21269438) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one
PubChem CID21269438
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one
SMILESC=C(C)C(=O)N1CCC(=O)C1O
InChIInChI=1S/C8H11NO3/c1-5(2)7(11)9-4-3-6(10)8(9)12/h8,12H,1,3-4H2,2H3
InChIKeyDOCXFRBRDVNYBI-UHFFFAOYSA-N
XLogP-0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-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 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one?
The IUPAC name of 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one (CID 21269438) is 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one.
What is the SMILES notation for 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one?
The canonical SMILES for 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one is C=C(C)C(=O)N1CCC(=O)C1O.
What is the InChIKey of 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one?
The InChIKey is DOCXFRBRDVNYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)7(11)9-4-3-6(10)8(9)12/h8,12H,1,3-4H2,2H3.
What are the key properties of 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one?
2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one is sourced from PubChem (CID 21269438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).