methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate

C12H14N2O2 — CID 143469941

IUPACmethyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate
SMILESC=CN(/N=C(\C)C(=O)OC)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-4-14(11-8-6-5-7-9-11)13-10(2)12(15)16-3/h4-9H,1H2,2-3H3/b13-10+
InChIKeyDWSWXAJSQIFDGV-JLHYYAGUSA-N
MW218.26 g/mol
LogP2.19
Rot. Bonds4

About methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate

methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate (PubChem CID 143469941) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Namemethyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate
PubChem CID143469941
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate
SMILESC=CN(/N=C(\C)C(=O)OC)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-4-14(11-8-6-5-7-9-11)13-10(2)12(15)16-3/h4-9H,1H2,2-3H3/b13-10+
InChIKeyDWSWXAJSQIFDGV-JLHYYAGUSA-N
XLogP2.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.19
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

N-methoxy-N-phenylprop-2-enamide
CID 11816178
methyl 2-[(N-prop-2-enoylanilino)methyl]prop-2-enoate
CID 101024124
methyl 2-[(N-acetylanilino)methyl]prop-2-enoate
CID 122402502
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658
2-(diphenylhydrazinylidene)propanoic acid
CID 4737078
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
methyl 3-benzyl-2-methylpenta-2,4-dienoate
CID 174507685
1,3-dimethoxy-1,3-diphenylurea
CID 141165239
1-chloroprop-2-enylbenzene;methyl 2-methylprop-2-enoate;styrene
CID 158716634
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate?
The IUPAC name of methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate (CID 143469941) is methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate.
What is the SMILES notation for methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate?
The canonical SMILES for methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate is C=CN(/N=C(\C)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate?
The InChIKey is DWSWXAJSQIFDGV-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-14(11-8-6-5-7-9-11)13-10(2)12(15)16-3/h4-9H,1H2,2-3H3/b13-10+.
What are the key properties of methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate?
methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate has a molecular weight of 218.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[ethenyl(phenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 143469941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).