(4E)-4-phenylmethoxyiminobutan-2-one

C11H13NO2 — CID 58674288

IUPAC(4E)-4-phenylmethoxyiminobutan-2-one
SMILESCC(=O)C/C=N/OCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-10(13)7-8-12-14-9-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3/b12-8+
InChIKeyJMONSYSPGHOLTD-XYOKQWHBSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds5

About (4E)-4-phenylmethoxyiminobutan-2-one

(4E)-4-phenylmethoxyiminobutan-2-one (PubChem CID 58674288) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4E)-4-phenylmethoxyiminobutan-2-one.

Molecular Properties

Compound Name(4E)-4-phenylmethoxyiminobutan-2-one
PubChem CID58674288
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4E)-4-phenylmethoxyiminobutan-2-one
SMILESCC(=O)C/C=N/OCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-10(13)7-8-12-14-9-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3/b12-8+
InChIKeyJMONSYSPGHOLTD-XYOKQWHBSA-N
XLogP2.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.17
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

(6E)-6-phenylmethoxyiminohexanal
CID 14120171
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
1-(3-chlorothiophen-2-yl)-3-phenylmethoxyiminopropan-1-one
CID 3697225
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
N'-[(Z)-phenylmethoxyiminomethyl]ethanimidamide
CID 155392690
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
2-phenylmethoxyiminoacetaldehyde
CID 56611193
4,4-dimethyl-1-(phenylmethoxyiminomethyl)cyclohexane-1-carboxylic acid
CID 86606475
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
2-ethyl-4-phenylmethoxyiminobutanenitrile
CID 118511405
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919

Frequently Asked Questions

What is the IUPAC name of (4E)-4-phenylmethoxyiminobutan-2-one?
The IUPAC name of (4E)-4-phenylmethoxyiminobutan-2-one (CID 58674288) is (4E)-4-phenylmethoxyiminobutan-2-one.
What is the SMILES notation for (4E)-4-phenylmethoxyiminobutan-2-one?
The canonical SMILES for (4E)-4-phenylmethoxyiminobutan-2-one is CC(=O)C/C=N/OCc1ccccc1.
What is the InChIKey of (4E)-4-phenylmethoxyiminobutan-2-one?
The InChIKey is JMONSYSPGHOLTD-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-10(13)7-8-12-14-9-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3/b12-8+.
What are the key properties of (4E)-4-phenylmethoxyiminobutan-2-one?
(4E)-4-phenylmethoxyiminobutan-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-phenylmethoxyiminobutan-2-one is sourced from PubChem (CID 58674288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).