4-imino-5,5-diphenylpentan-2-one

C17H17NO — CID 56998446

IUPAC4-imino-5,5-diphenylpentan-2-one
SMILES[H]/N=C(\CC(C)=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(19)12-16(18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-18H,12H2,1H3/b18-16+
InChIKeyRAQBQKDGSYEODK-FBMGVBCBSA-N
MW251.33 g/mol
LogP3.82
Rot. Bonds5

About 4-imino-5,5-diphenylpentan-2-one

4-imino-5,5-diphenylpentan-2-one (PubChem CID 56998446) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-imino-5,5-diphenylpentan-2-one.

Molecular Properties

Compound Name4-imino-5,5-diphenylpentan-2-one
PubChem CID56998446
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-imino-5,5-diphenylpentan-2-one
SMILES[H]/N=C(\CC(C)=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(19)12-16(18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-18H,12H2,1H3/b18-16+
InChIKeyRAQBQKDGSYEODK-FBMGVBCBSA-N
XLogP3.82
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
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 4-imino-5,5-diphenylpentan-2-one?
The IUPAC name of 4-imino-5,5-diphenylpentan-2-one (CID 56998446) is 4-imino-5,5-diphenylpentan-2-one.
What is the SMILES notation for 4-imino-5,5-diphenylpentan-2-one?
The canonical SMILES for 4-imino-5,5-diphenylpentan-2-one is [H]/N=C(\CC(C)=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-imino-5,5-diphenylpentan-2-one?
The InChIKey is RAQBQKDGSYEODK-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(19)12-16(18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-18H,12H2,1H3/b18-16+.
What are the key properties of 4-imino-5,5-diphenylpentan-2-one?
4-imino-5,5-diphenylpentan-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5,5-diphenylpentan-2-one is sourced from PubChem (CID 56998446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).