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

C12H11N3O2 — CID 135645943

IUPAC3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccc(O)c1
InChIInChI=1S/C12H11N3O2/c16-11-5-1-3-9(7-11)12(17)15-14-8-10-4-2-6-13-10/h1-8,13,16H,(H,15,17)/b14-8+
InChIKeyPDOUIUUQXLRRRK-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.48
Rot. Bonds3

About 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 135645943) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID135645943
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccc(O)c1
InChIInChI=1S/C12H11N3O2/c16-11-5-1-3-9(7-11)12(17)15-14-8-10-4-2-6-13-10/h1-8,13,16H,(H,15,17)/b14-8+
InChIKeyPDOUIUUQXLRRRK-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'}

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Related Compounds

3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135801543
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
3,5-ditert-butyl-4-hydroxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 139795288
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 135645943) is 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc[nH]1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is PDOUIUUQXLRRRK-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-5-1-3-9(7-11)12(17)15-14-8-10-4-2-6-13-10/h1-8,13,16H,(H,15,17)/b14-8+.
What are the key properties of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
3-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 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 135645943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).