2-methylimino-1,3-diphenylpropan-1-one

C16H15NO — CID 57257488

IUPAC2-methylimino-1,3-diphenylpropan-1-one
SMILESC/N=C(\Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-15(12-13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2-11H,12H2,1H3/b17-15+
InChIKeyATQGHPSCJLDBBG-BMRADRMJSA-N
MW237.30 g/mol
LogP3.18
Rot. Bonds4

About 2-methylimino-1,3-diphenylpropan-1-one

2-methylimino-1,3-diphenylpropan-1-one (PubChem CID 57257488) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methylimino-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-methylimino-1,3-diphenylpropan-1-one
PubChem CID57257488
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-methylimino-1,3-diphenylpropan-1-one
SMILESC/N=C(\Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-15(12-13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2-11H,12H2,1H3/b17-15+
InChIKeyATQGHPSCJLDBBG-BMRADRMJSA-N
XLogP3.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 139068935
(E)-3-amino-2-benzyl-1-phenylbut-2-en-1-one
CID 102583104
1,6-diphenylhexane-1,2,3,4,5-pentone
CID 90108390
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
benzene;1-phenylpropan-2-one
CID 21430852
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
1,3-diphenyl(213C)propan-2-one
CID 100945080

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-1,3-diphenylpropan-1-one?
The IUPAC name of 2-methylimino-1,3-diphenylpropan-1-one (CID 57257488) is 2-methylimino-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2-methylimino-1,3-diphenylpropan-1-one?
The canonical SMILES for 2-methylimino-1,3-diphenylpropan-1-one is C/N=C(\Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methylimino-1,3-diphenylpropan-1-one?
The InChIKey is ATQGHPSCJLDBBG-BMRADRMJSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-15(12-13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2-11H,12H2,1H3/b17-15+.
What are the key properties of 2-methylimino-1,3-diphenylpropan-1-one?
2-methylimino-1,3-diphenylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1,3-diphenylpropan-1-one is sourced from PubChem (CID 57257488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).