ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate

C12H16N2O2 — CID 72730658

IUPACethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(C)=NN(C)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-4-16-12(15)10(2)13-14(3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
InChIKeyJXDHSHBTJZOQBP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate

ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate (PubChem CID 72730658) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
PubChem CID72730658
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(C)=NN(C)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-4-16-12(15)10(2)13-14(3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
InChIKeyJXDHSHBTJZOQBP-UHFFFAOYSA-N
XLogP2.06
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
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'}

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Related Compounds

ethyl (Z)-3-hydroxy-2-(N-phenylanilino)but-2-enoate
CID 54687376
[(1-ethoxy-1-oxopropan-2-ylidene)amino] benzoate
CID 131876396
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
ethyl (Z)-2-chloro-3-(N-methylanilino)prop-2-enoate
CID 122216502
ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate
CID 12857757
N-(1-ethoxybutan-2-ylideneamino)-N-methylaniline
CID 87707470
N,N-dimethylaniline;ethyl 2-aminoacetate
CID 174495467
ethyl 3-oxo-2-phenyliminobutanoate
CID 12761518
1-O-ethyl 2-O-[1-(N-phenylanilino)ethyl] oxalate
CID 140981950
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate (CID 72730658) is ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate is CCOC(=O)C(C)=NN(C)c1ccccc1.
What is the InChIKey of ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate?
The InChIKey is JXDHSHBTJZOQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-16-12(15)10(2)13-14(3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate?
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate has a molecular weight of 220.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 72730658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).