ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate

C12H14N2O3 — CID 2274410

IUPACethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
SMILESC=C(NNC(=O)C(=O)OCC)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)11(15)14-13-9(2)10-7-5-4-6-8-10/h4-8,13H,2-3H2,1H3,(H,14,15)
InChIKeyULHSZDSVADIHCW-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.84
Rot. Bonds4

About ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate

ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate (PubChem CID 2274410) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
PubChem CID2274410
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
SMILESC=C(NNC(=O)C(=O)OCC)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)11(15)14-13-9(2)10-7-5-4-6-8-10/h4-8,13H,2-3H2,1H3,(H,14,15)
InChIKeyULHSZDSVADIHCW-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
ethyl (Z)-2-methyl-3-phenyl-3-sulfanylprop-2-enoate
CID 131879018
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-cyano-2-methyl-3-phenylprop-2-enoate
CID 11195261
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoacetate
CID 129246974
ethyl 3-phenyl-2,3-bis(sulfanyl)prop-2-enoate
CID 72543001
ethyl (Z)-2-methyl-5-oxo-3-phenylhex-2-enoate
CID 101492463
benzyl 2-phenylprop-2-enoate;ethyl 2-(4-methylphenyl)prop-2-enoate;ethyl 2-phenylprop-2-enoate;methane;methyl 2-phenylprop-2-enoate
CID 160594780
ethyl (Z)-2-methyl-3-phenylpent-2-enoate
CID 15743107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate?
The IUPAC name of ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate (CID 2274410) is ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate is C=C(NNC(=O)C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate?
The InChIKey is ULHSZDSVADIHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(16)11(15)14-13-9(2)10-7-5-4-6-8-10/h4-8,13H,2-3H2,1H3,(H,14,15).
What are the key properties of ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate?
ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate has a molecular weight of 234.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate is sourced from PubChem (CID 2274410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).