4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid

C12H14N2O3 — CID 69366820

IUPAC4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid
SMILESCCCC(=O)C=NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H14N2O3/c1-2-3-11(15)8-13-14-10-6-4-9(5-7-10)12(16)17/h4-8,14H,2-3H2,1H3,(H,16,17)
InChIKeyHCBYZGYOGVRQQI-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.15
Rot. Bonds6

About 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid

4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid (PubChem CID 69366820) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid
PubChem CID69366820
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid
SMILESCCCC(=O)C=NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H14N2O3/c1-2-3-11(15)8-13-14-10-6-4-9(5-7-10)12(16)17/h4-8,14H,2-3H2,1H3,(H,16,17)
InChIKeyHCBYZGYOGVRQQI-UHFFFAOYSA-N
XLogP2.15
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.15
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-[2-(2-oxopentylidene)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-acetamidobenzoic acid;butanoic acid
CID 159836092
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9012910
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686
4-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 21352237
bis(4-(ethylamino)benzoic acid);propane-1,3-diol
CID 175444404
4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
CID 136713353
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
4-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 5042839
2-methylpropyl 3-oxo-4-(phenylhydrazinylidene)butanoate
CID 174291322

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid (CID 69366820) is 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid is CCCC(=O)C=NNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid?
The InChIKey is HCBYZGYOGVRQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-3-11(15)8-13-14-10-6-4-9(5-7-10)12(16)17/h4-8,14H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid?
4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid has a molecular weight of 234.26 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopentylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 69366820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).