4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid

C14H12N2O4 — CID 17389017

IUPAC4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C14H12N2O4/c1-9(17)16-15-8-12-6-7-13(20-12)10-2-4-11(5-3-10)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8+
InChIKeyFKDWJXNGHSJWBF-OVCLIPMQSA-N
MW272.26 g/mol
LogP2.11
Rot. Bonds4

About 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid

4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid (PubChem CID 17389017) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
PubChem CID17389017
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C14H12N2O4/c1-9(17)16-15-8-12-6-7-13(20-12)10-2-4-11(5-3-10)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8+
InChIKeyFKDWJXNGHSJWBF-OVCLIPMQSA-N
XLogP2.11
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]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-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5396321
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
4-[5-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1207687
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332
N-[(Z)-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 9074232
4-[5-[(Z)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368157
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 6115254
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CID 17389017) is 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid is CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1.
What is the InChIKey of 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The InChIKey is FKDWJXNGHSJWBF-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9(17)16-15-8-12-6-7-13(20-12)10-2-4-11(5-3-10)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8+.
What are the key properties of 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 17389017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).