2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

C12H11N3O2 — CID 135409855

IUPAC2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1ccccc1O
InChIInChI=1S/C12H11N3O2/c16-11-6-2-1-5-10(11)12(17)15-14-8-9-4-3-7-13-9/h1-8,13,16H,(H,15,17)/b14-8+
InChIKeySSFAKFBVXKBZAY-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.48
Rot. Bonds3

About 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 135409855) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID135409855
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1ccccc1O
InChIInChI=1S/C12H11N3O2/c16-11-6-2-1-5-10(11)12(17)15-14-8-9-4-3-7-13-9/h1-8,13,16H,(H,15,17)/b14-8+
InChIKeySSFAKFBVXKBZAY-RIYZIHGNSA-N
XLogP1.48
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide 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-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 135409855) is 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc[nH]1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is SSFAKFBVXKBZAY-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-6-2-1-5-10(11)12(17)15-14-8-9-4-3-7-13-9/h1-8,13,16H,(H,15,17)/b14-8+.
What are the key properties of 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 229.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 135409855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).