[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate

C12H13NO2 — CID 14745058

IUPAC[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/N=C(\C)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-9(2)12(14)15-13-10(3)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3/b13-10+
InChIKeySTCKUUKRCJPABO-JLHYYAGUSA-N
MW203.24 g/mol
LogP2.53
Rot. Bonds3

About [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate

[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate (PubChem CID 14745058) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
PubChem CID14745058
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/N=C(\C)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-9(2)12(14)15-13-10(3)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3/b13-10+
InChIKeySTCKUUKRCJPABO-JLHYYAGUSA-N
XLogP2.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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] acetate
CID 5392489
[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate
CID 76686683
ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
CID 172950425
(1-phenylethylideneamino) (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 138565048
[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
(diaminomethylideneamino) 2-methylprop-2-enoate
CID 87840247
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate?
The IUPAC name of [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate (CID 14745058) is [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate.
What is the SMILES notation for [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate?
The canonical SMILES for [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate is C=C(C)C(=O)O/N=C(\C)c1ccccc1.
What is the InChIKey of [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate?
The InChIKey is STCKUUKRCJPABO-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(2)12(14)15-13-10(3)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3/b13-10+.
What are the key properties of [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate?
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate has a molecular weight of 203.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylethylideneamino] 2-methylprop-2-enoate is sourced from PubChem (CID 14745058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).