1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one

C7H12N2O2 — CID 139953815

IUPAC1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(N)CN1CC=C(O)C1=O
InChIInChI=1S/C7H12N2O2/c1-5(8)4-9-3-2-6(10)7(9)11/h2,5,10H,3-4,8H2,1H3
InChIKeyKGWWHKRHESMMLK-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.38
Rot. Bonds2

About 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one

1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 139953815) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID139953815
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(N)CN1CC=C(O)C1=O
InChIInChI=1S/C7H12N2O2/c1-5(8)4-9-3-2-6(10)7(9)11/h2,5,10H,3-4,8H2,1H3
InChIKeyKGWWHKRHESMMLK-UHFFFAOYSA-N
XLogP-0.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-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 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one (CID 139953815) is 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one is CC(N)CN1CC=C(O)C1=O.
What is the InChIKey of 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is KGWWHKRHESMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(8)4-9-3-2-6(10)7(9)11/h2,5,10H,3-4,8H2,1H3.
What are the key properties of 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one?
1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 156.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 139953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).