(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one

C19H21NO2 — CID 134997848

IUPAC(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one
SMILESCC(/C=N/OCc1ccccc1)CCC(=O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-16(12-13-19(21)18-10-6-3-7-11-18)14-20-22-15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3/b20-14+
InChIKeyXUXWFZFANGNQBW-XSFVSMFZSA-N
MW295.38 g/mol
LogP4.49
Rot. Bonds8

About (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one

(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one (PubChem CID 134997848) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one.

Molecular Properties

Compound Name(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one
PubChem CID134997848
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one
SMILESCC(/C=N/OCc1ccccc1)CCC(=O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-16(12-13-19(21)18-10-6-3-7-11-18)14-20-22-15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3/b20-14+
InChIKeyXUXWFZFANGNQBW-XSFVSMFZSA-N
XLogP4.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.49
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

benzaldehyde O-benzoyloxime
CID 11206881
3-[1,1'-biphenyl]-4-yl-3-oxopropanal O-methyloxime
CID 9581960
1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime)
CID 86537
[(E)-(3,6-dioxo-4-propan-2-ylcyclohexa-1,4-dien-1-yl)methylideneamino] 2-methylbenzoate
CID 90643726
(1E,2E)-3-phenylacrylaldehyde O-benzoyloxime
CID 11521655
(3E)-3-ethoxyimino-1-(4-pentylphenyl)propan-1-one
CID 42604131
Xeppcvkkxlbyar-uhfffaoysa-
CID 13334008
1-{[1,1'-Biphenyl]-4-yl}-3-(methoxyimino)propan-1-one
CID 2768549
1-(4-Fluorophenyl)-2-[5-(4-fluorophenyl)-4,5-dihydro-3-isoxazolyl]-ethanone
CID 129799955
(4S)-6,6,6-trifluoro-1-phenyl-4-[(E)-phenylmethoxyiminomethyl]hexan-1-one
CID 164673919
(Benzylideneamino) benzoate
CID 72750863
4-[(4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino)-ethyl]-2-ethyl-benzaldehyde
CID 86706846

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one?
The IUPAC name of (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one (CID 134997848) is (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one.
What is the SMILES notation for (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one?
The canonical SMILES for (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one is CC(/C=N/OCc1ccccc1)CCC(=O)c1ccccc1.
What is the InChIKey of (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one?
The InChIKey is XUXWFZFANGNQBW-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21NO2/c1-16(12-13-19(21)18-10-6-3-7-11-18)14-20-22-15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3/b20-14+.
What are the key properties of (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one?
(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one has a molecular weight of 295.38 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one is sourced from PubChem (CID 134997848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).