dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate

C13H14N2O5 — CID 171377139

IUPACdimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate
SMILESCOC(=O)/C=C(O)/C(=N\Nc1ccccc1)C(=O)OC
InChIInChI=1S/C13H14N2O5/c1-19-11(17)8-10(16)12(13(18)20-2)15-14-9-6-4-3-5-7-9/h3-8,14,16H,1-2H3/b10-8-,15-12+
InChIKeyQRHZWKOZUCLTMZ-UADWGJSRSA-N
MW278.26 g/mol
LogP1.24
Rot. Bonds5

About dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate

dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate (PubChem CID 171377139) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate
PubChem CID171377139
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namedimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate
SMILESCOC(=O)/C=C(O)/C(=N\Nc1ccccc1)C(=O)OC
InChIInChI=1S/C13H14N2O5/c1-19-11(17)8-10(16)12(13(18)20-2)15-14-9-6-4-3-5-7-9/h3-8,14,16H,1-2H3/b10-8-,15-12+
InChIKeyQRHZWKOZUCLTMZ-UADWGJSRSA-N
XLogP1.24
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate 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

dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
CID 6076546
5-[2-(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)hydrazinyl]benzene-1,3-dicarboxylic acid
CID 58895384
dimethyl (Z)-2-[(E)-3-anilino-3-oxoprop-1-enyl]but-2-enedioate
CID 101039758
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
dimethyl (E)-2-(3-phenylanilino)but-2-enedioate
CID 14626592
dimethyl 2-phenylsulfanylbut-2-enedioate
CID 15490675
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
CID 101385943
dimethyl (E)-2-[3,5-bis(phenylcarbamoyl)anilino]but-2-enedioate
CID 168568188
methyl (4Z)-5,5,5-trifluoro-4-(phenylhydrazinylidene)pentanoate
CID 72942224

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate?
The IUPAC name of dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate (CID 171377139) is dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate.
What is the SMILES notation for dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate?
The canonical SMILES for dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate is COC(=O)/C=C(O)/C(=N\Nc1ccccc1)C(=O)OC.
What is the InChIKey of dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate?
The InChIKey is QRHZWKOZUCLTMZ-UADWGJSRSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-11(17)8-10(16)12(13(18)20-2)15-14-9-6-4-3-5-7-9/h3-8,14,16H,1-2H3/b10-8-,15-12+.
What are the key properties of dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate?
dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate has a molecular weight of 278.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate is sourced from PubChem (CID 171377139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).