[(E)-1-phenylethylideneamino] acetate

C10H11NO2 — CID 5392489

IUPAC[(E)-1-phenylethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(11-13-9(2)12)10-6-4-3-5-7-10/h3-7H,1-2H3/b11-8+
InChIKeyTVBBAKXSFWTTLO-DHZHZOJOSA-N
MW177.20 g/mol
LogP1.97
Rot. Bonds2

About [(E)-1-phenylethylideneamino] acetate

[(E)-1-phenylethylideneamino] acetate (PubChem CID 5392489) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is [(E)-1-phenylethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-phenylethylideneamino] acetate
PubChem CID5392489
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name[(E)-1-phenylethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(11-13-9(2)12)10-6-4-3-5-7-10/h3-7H,1-2H3/b11-8+
InChIKeyTVBBAKXSFWTTLO-DHZHZOJOSA-N
XLogP1.97
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
CID 172950425
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
[(2-bromo-1-phenylethylidene)amino] acetate
CID 86233217
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
[(Z)-1,2,2-triphenylethylideneamino] acetate
CID 53467016
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylethylideneamino] acetate?
The IUPAC name of [(E)-1-phenylethylideneamino] acetate (CID 5392489) is [(E)-1-phenylethylideneamino] acetate.
What is the SMILES notation for [(E)-1-phenylethylideneamino] acetate?
The canonical SMILES for [(E)-1-phenylethylideneamino] acetate is CC(=O)O/N=C(\C)c1ccccc1.
What is the InChIKey of [(E)-1-phenylethylideneamino] acetate?
The InChIKey is TVBBAKXSFWTTLO-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(11-13-9(2)12)10-6-4-3-5-7-10/h3-7H,1-2H3/b11-8+.
What are the key properties of [(E)-1-phenylethylideneamino] acetate?
[(E)-1-phenylethylideneamino] acetate has a molecular weight of 177.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylethylideneamino] acetate is sourced from PubChem (CID 5392489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).