ethyl 2-phenyliminoacetate

C10H11NO2 — CID 7095267

IUPACethyl 2-phenyliminoacetate
SMILESCCOC(=O)/C=N/c1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b11-8+
InChIKeyGIWMBICOBYIWDN-DHZHZOJOSA-N
MW177.20 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-phenyliminoacetate

ethyl 2-phenyliminoacetate (PubChem CID 7095267) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl 2-phenyliminoacetate.

Molecular Properties

Compound Nameethyl 2-phenyliminoacetate
PubChem CID7095267
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Nameethyl 2-phenyliminoacetate
SMILESCCOC(=O)/C=N/c1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b11-8+
InChIKeyGIWMBICOBYIWDN-DHZHZOJOSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-2-(phenyliminomethyl)but-2-enoate
CID 135534056
ethyl 2-(benzylidenehydrazinylidene)acetate
CID 71441090
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl 2-phenylmethoxycarbonyliminoacetate
CID 71407437
dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium
CID 153489731
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyliminoacetate?
The IUPAC name of ethyl 2-phenyliminoacetate (CID 7095267) is ethyl 2-phenyliminoacetate.
What is the SMILES notation for ethyl 2-phenyliminoacetate?
The canonical SMILES for ethyl 2-phenyliminoacetate is CCOC(=O)/C=N/c1ccccc1.
What is the InChIKey of ethyl 2-phenyliminoacetate?
The InChIKey is GIWMBICOBYIWDN-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b11-8+.
What are the key properties of ethyl 2-phenyliminoacetate?
ethyl 2-phenyliminoacetate has a molecular weight of 177.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyliminoacetate is sourced from PubChem (CID 7095267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).