3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one

C13H14N2O2 — CID 135423544

IUPAC3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one
SMILESCC(/N=C/C1=C(O)CNC1=O)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-12(16)8-15-13(11)17/h2-7,9,16H,8H2,1H3,(H,15,17)/b14-7+
InChIKeyMSCOUWBVOVKUGD-VGOFMYFVSA-N
MW230.27 g/mol
LogP1.76
Rot. Bonds3

About 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one

3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one (PubChem CID 135423544) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one
PubChem CID135423544
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one
SMILESCC(/N=C/C1=C(O)CNC1=O)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-12(16)8-15-13(11)17/h2-7,9,16H,8H2,1H3,(H,15,17)/b14-7+
InChIKeyMSCOUWBVOVKUGD-VGOFMYFVSA-N
XLogP1.76
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-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 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one (CID 135423544) is 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one is CC(/N=C/C1=C(O)CNC1=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one?
The InChIKey is MSCOUWBVOVKUGD-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-12(16)8-15-13(11)17/h2-7,9,16H,8H2,1H3,(H,15,17)/b14-7+.
What are the key properties of 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one?
3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(1-phenylethyliminomethyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135423544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).