ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate

C17H18N2O2 — CID 11616153

IUPACethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
SMILESCCOC(=O)/C(Cc1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-21-17(20)16(13-14-9-5-3-6-10-14)19-18-15-11-7-4-8-12-15/h3-12,18H,2,13H2,1H3/b19-16+
InChIKeySXBZVDUPOJFTCB-KNTRCKAVSA-N
MW282.34 g/mol
LogP3.26
Rot. Bonds6

About ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate

ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate (PubChem CID 11616153) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate.

Molecular Properties

Compound Nameethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
PubChem CID11616153
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
SMILESCCOC(=O)/C(Cc1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-21-17(20)16(13-14-9-5-3-6-10-14)19-18-15-11-7-4-8-12-15/h3-12,18H,2,13H2,1H3/b19-16+
InChIKeySXBZVDUPOJFTCB-KNTRCKAVSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
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 (2Z)-2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]hydrazinylidene]-3-phenylpropanoate
CID 88796860
3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
CID 131710018
methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
CID 101385943
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
diethyl oxalate;N-phenylaniline
CID 174415380
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate
CID 12857760
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
ethyl 3-phenyl-2-sulfanylidenepropanoate
CID 54295653
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate?
The IUPAC name of ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate (CID 11616153) is ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate.
What is the SMILES notation for ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate?
The canonical SMILES for ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate is CCOC(=O)/C(Cc1ccccc1)=N/Nc1ccccc1.
What is the InChIKey of ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate?
The InChIKey is SXBZVDUPOJFTCB-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-21-17(20)16(13-14-9-5-3-6-10-14)19-18-15-11-7-4-8-12-15/h3-12,18H,2,13H2,1H3/b19-16+.
What are the key properties of ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate?
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate has a molecular weight of 282.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate is sourced from PubChem (CID 11616153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).