2-benzylimino-1-phenylethanone

C15H13NO — CID 13351399

IUPAC2-benzylimino-1-phenylethanone
SMILESO=C(/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,12H,11H2/b16-12+
InChIKeyUAWRYEHSHRCCKT-FOWTUZBSSA-N
MW223.28 g/mol
LogP3.14
Rot. Bonds4

About 2-benzylimino-1-phenylethanone

2-benzylimino-1-phenylethanone (PubChem CID 13351399) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-benzylimino-1-phenylethanone.

Molecular Properties

Compound Name2-benzylimino-1-phenylethanone
PubChem CID13351399
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-benzylimino-1-phenylethanone
SMILESO=C(/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,12H,11H2/b16-12+
InChIKeyUAWRYEHSHRCCKT-FOWTUZBSSA-N
XLogP3.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-1-phenylethanone?
The IUPAC name of 2-benzylimino-1-phenylethanone (CID 13351399) is 2-benzylimino-1-phenylethanone.
What is the SMILES notation for 2-benzylimino-1-phenylethanone?
The canonical SMILES for 2-benzylimino-1-phenylethanone is O=C(/C=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzylimino-1-phenylethanone?
The InChIKey is UAWRYEHSHRCCKT-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H13NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,12H,11H2/b16-12+.
What are the key properties of 2-benzylimino-1-phenylethanone?
2-benzylimino-1-phenylethanone has a molecular weight of 223.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-1-phenylethanone is sourced from PubChem (CID 13351399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).