2-[methyl(phenyl)hydrazinylidene]propanedioic acid

C10H10N2O4 — CID 165345794

IUPAC2-[methyl(phenyl)hydrazinylidene]propanedioic acid
SMILESCN(N=C(C(=O)O)C(=O)O)c1ccccc1
InChIInChI=1S/C10H10N2O4/c1-12(7-5-3-2-4-6-7)11-8(9(13)14)10(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyJWLVEMZFNBQDDQ-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.65
Rot. Bonds4

About 2-[methyl(phenyl)hydrazinylidene]propanedioic acid

2-[methyl(phenyl)hydrazinylidene]propanedioic acid (PubChem CID 165345794) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[methyl(phenyl)hydrazinylidene]propanedioic acid.

Molecular Properties

Compound Name2-[methyl(phenyl)hydrazinylidene]propanedioic acid
PubChem CID165345794
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-[methyl(phenyl)hydrazinylidene]propanedioic acid
SMILESCN(N=C(C(=O)O)C(=O)O)c1ccccc1
InChIInChI=1S/C10H10N2O4/c1-12(7-5-3-2-4-6-7)11-8(9(13)14)10(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyJWLVEMZFNBQDDQ-UHFFFAOYSA-N
XLogP0.65
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658
2-[methyl(phenyl)hydrazinylidene]acetyl chloride
CID 23261017
2-(diphenylhydrazinylidene)propanoic acid
CID 4737078
[4-[C-methyl-N-(N-methylanilino)carbonimidoyl]phenyl] acetate
CID 139783652
methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate
CID 5356889
2-[[(3Z)-2-formyl-3-[methyl(phenyl)hydrazinylidene]butanoyl]amino]propanoic acid
CID 155303767
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
CID 71404149
2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987714

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyl)hydrazinylidene]propanedioic acid?
The IUPAC name of 2-[methyl(phenyl)hydrazinylidene]propanedioic acid (CID 165345794) is 2-[methyl(phenyl)hydrazinylidene]propanedioic acid.
What is the SMILES notation for 2-[methyl(phenyl)hydrazinylidene]propanedioic acid?
The canonical SMILES for 2-[methyl(phenyl)hydrazinylidene]propanedioic acid is CN(N=C(C(=O)O)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl(phenyl)hydrazinylidene]propanedioic acid?
The InChIKey is JWLVEMZFNBQDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-12(7-5-3-2-4-6-7)11-8(9(13)14)10(15)16/h2-6H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[methyl(phenyl)hydrazinylidene]propanedioic acid?
2-[methyl(phenyl)hydrazinylidene]propanedioic acid has a molecular weight of 222.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyl)hydrazinylidene]propanedioic acid is sourced from PubChem (CID 165345794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).