N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C12H10N4O4 — CID 135771114

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc[nH]1
InChIInChI=1S/C12H10N4O4/c17-11-4-3-8(6-10(11)16(19)20)7-14-15-12(18)9-2-1-5-13-9/h1-7,13,17H,(H,15,18)/b14-7+
InChIKeySOEXRHMYXSTDLH-VGOFMYFVSA-N
MW274.24 g/mol
LogP1.39
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 135771114) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID135771114
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc[nH]1
InChIInChI=1S/C12H10N4O4/c17-11-4-3-8(6-10(11)16(19)20)7-14-15-12(18)9-2-1-5-13-9/h1-7,13,17H,(H,15,18)/b14-7+
InChIKeySOEXRHMYXSTDLH-VGOFMYFVSA-N
XLogP1.39
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135619471
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137255813

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 135771114) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc[nH]1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is SOEXRHMYXSTDLH-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-11-4-3-8(6-10(11)16(19)20)7-14-15-12(18)9-2-1-5-13-9/h1-7,13,17H,(H,15,18)/b14-7+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135771114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).