(3E)-3-methoxyimino-1-phenylbutan-1-one

C11H13NO2 — CID 14615206

IUPAC(3E)-3-methoxyimino-1-phenylbutan-1-one
SMILESCO/N=C(\C)CC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12-14-2)8-11(13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b12-9+
InChIKeyRMOBYMQNLHBWHL-FMIVXFBMSA-N
MW191.23 g/mol
LogP2.28
Rot. Bonds4

About (3E)-3-methoxyimino-1-phenylbutan-1-one

(3E)-3-methoxyimino-1-phenylbutan-1-one (PubChem CID 14615206) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3E)-3-methoxyimino-1-phenylbutan-1-one.

Molecular Properties

Compound Name(3E)-3-methoxyimino-1-phenylbutan-1-one
PubChem CID14615206
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3E)-3-methoxyimino-1-phenylbutan-1-one
SMILESCO/N=C(\C)CC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12-14-2)8-11(13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b12-9+
InChIKeyRMOBYMQNLHBWHL-FMIVXFBMSA-N
XLogP2.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
erbium;1-phenylbutane-1,3-dione
CID 175058632
3-(2-aminoethylimino)-1-phenylbutan-1-one
CID 71353116
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methoxyimino-1-phenylbutan-1-one?
The IUPAC name of (3E)-3-methoxyimino-1-phenylbutan-1-one (CID 14615206) is (3E)-3-methoxyimino-1-phenylbutan-1-one.
What is the SMILES notation for (3E)-3-methoxyimino-1-phenylbutan-1-one?
The canonical SMILES for (3E)-3-methoxyimino-1-phenylbutan-1-one is CO/N=C(\C)CC(=O)c1ccccc1.
What is the InChIKey of (3E)-3-methoxyimino-1-phenylbutan-1-one?
The InChIKey is RMOBYMQNLHBWHL-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(12-14-2)8-11(13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b12-9+.
What are the key properties of (3E)-3-methoxyimino-1-phenylbutan-1-one?
(3E)-3-methoxyimino-1-phenylbutan-1-one has a molecular weight of 191.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methoxyimino-1-phenylbutan-1-one is sourced from PubChem (CID 14615206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).