4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid

C10H8N4O5 — CID 5475321

IUPAC4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid
SMILESO=N/C=C/C(=N/Nc1ccc(C(=O)O)cc1)[N+](=O)[O-]
InChIInChI=1S/C10H8N4O5/c15-10(16)7-1-3-8(4-2-7)12-13-9(14(18)19)5-6-11-17/h1-6,12H,(H,15,16)/b6-5+,13-9-
InChIKeyJJOCGVOPHVGVNL-OCPSBLJHSA-N
MW264.20 g/mol
LogP1.67
Rot. Bonds5

About 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid (PubChem CID 5475321) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid
PubChem CID5475321
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid
SMILESO=N/C=C/C(=N/Nc1ccc(C(=O)O)cc1)[N+](=O)[O-]
InChIInChI=1S/C10H8N4O5/c15-10(16)7-1-3-8(4-2-7)12-13-9(14(18)19)5-6-11-17/h1-6,12H,(H,15,16)/b6-5+,13-9-
InChIKeyJJOCGVOPHVGVNL-OCPSBLJHSA-N
XLogP1.67
TPSA134.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid 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

4-[(2Z)-2-(1-nitroethylidene)hydrazinyl]benzoic acid
CID 50887410
4-[2-(1,3-diamino-1,3-dioxopropan-2-ylidene)hydrazinyl]benzoic acid
CID 4873305
[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate
CID 134879860
4-(oxidoamino)benzoic acid
CID 54746218
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
4-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 71340445
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
CID 3385757
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-(4-carboxyphenyl)benzoic acid;cerium(3+);trinitrate
CID 175212946

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid (CID 5475321) is 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid is O=N/C=C/C(=N/Nc1ccc(C(=O)O)cc1)[N+](=O)[O-].
What is the InChIKey of 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid?
The InChIKey is JJOCGVOPHVGVNL-OCPSBLJHSA-N. The full InChI is InChI=1S/C10H8N4O5/c15-10(16)7-1-3-8(4-2-7)12-13-9(14(18)19)5-6-11-17/h1-6,12H,(H,15,16)/b6-5+,13-9-.
What are the key properties of 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid has a molecular weight of 264.20 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(E)-1-nitro-3-nitrosoprop-2-enylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 5475321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).