ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate

C14H19N3O3 — CID 135461713

IUPACethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate
SMILESCCOC(=O)C(=N\Nc1cc(C)ccc1O)/C(C)=N/C
InChIInChI=1S/C14H19N3O3/c1-5-20-14(19)13(10(3)15-4)17-16-11-8-9(2)6-7-12(11)18/h6-8,16,18H,5H2,1-4H3/b15-10+,17-13-
InChIKeyVQIAUEJWYRBBSR-MCNXMTOVSA-N
MW277.32 g/mol
LogP2.12
Rot. Bonds5

About ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate

ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate (PubChem CID 135461713) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate
PubChem CID135461713
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate
SMILESCCOC(=O)C(=N\Nc1cc(C)ccc1O)/C(C)=N/C
InChIInChI=1S/C14H19N3O3/c1-5-20-14(19)13(10(3)15-4)17-16-11-8-9(2)6-7-12(11)18/h6-8,16,18H,5H2,1-4H3/b15-10+,17-13-
InChIKeyVQIAUEJWYRBBSR-MCNXMTOVSA-N
XLogP2.12
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate 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

ethyl (2Z,3E)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dimethylphenyl)hydrazinylidene]butanoate
CID 98518090
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 6413876
ethyl (2E,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-methoxyphenyl)hydrazinylidene]butanoate
CID 98518100
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-nitrophenyl)hydrazinylidene]butanoate
CID 6413874
ethyl 3-(carbamothioylhydrazinylidene)-2-[(3,4-dimethylphenyl)hydrazinylidene]butanoate
CID 6812829
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268
ethyl (2Z,3E)-3-(carbamothioylhydrazinylidene)-2-(phenylhydrazinylidene)butanoate
CID 98518108
ethyl 2-chloro-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]acetate
CID 53395501
ethyl (2E)-2-cyano-2-[(2-methoxy-5-methylphenyl)hydrazinylidene]acetate
CID 6895831
diethyl 2-[(4-methoxy-2-nitrophenyl)hydrazinylidene]propanedioate
CID 2739559
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate?
The IUPAC name of ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate (CID 135461713) is ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate.
What is the SMILES notation for ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate?
The canonical SMILES for ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate is CCOC(=O)C(=N\Nc1cc(C)ccc1O)/C(C)=N/C.
What is the InChIKey of ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate?
The InChIKey is VQIAUEJWYRBBSR-MCNXMTOVSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-20-14(19)13(10(3)15-4)17-16-11-8-9(2)6-7-12(11)18/h6-8,16,18H,5H2,1-4H3/b15-10+,17-13-.
What are the key properties of ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate?
ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate has a molecular weight of 277.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-methyliminobutanoate is sourced from PubChem (CID 135461713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).