4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one

C12H11ClN2O2 — CID 136711594

IUPAC4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1/C=N/Cc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-8(10)5-14-6-9-11(16)7-15-12(9)17/h1-4,6,16H,5,7H2,(H,15,17)/b14-6+
InChIKeyFHGKGPBAXJRIJU-MKMNVTDBSA-N
MW250.69 g/mol
LogP1.85
Rot. Bonds3

About 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one

4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 136711594) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID136711594
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1/C=N/Cc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-8(10)5-14-6-9-11(16)7-15-12(9)17/h1-4,6,16H,5,7H2,(H,15,17)/b14-6+
InChIKeyFHGKGPBAXJRIJU-MKMNVTDBSA-N
XLogP1.85
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-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 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one (CID 136711594) is 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one is O=C1NCC(O)=C1/C=N/Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is FHGKGPBAXJRIJU-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-8(10)5-14-6-9-11(16)7-15-12(9)17/h1-4,6,16H,5,7H2,(H,15,17)/b14-6+.
What are the key properties of 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 250.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 136711594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).