1-methyl-2,2-diphenylazetidin-3-one

C16H15NO — CID 174474790

IUPAC1-methyl-2,2-diphenylazetidin-3-one
SMILESCN1CC(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-12-15(18)16(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyBJXPLWYJHNYAJW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.44
Rot. Bonds2

About 1-methyl-2,2-diphenylazetidin-3-one

1-methyl-2,2-diphenylazetidin-3-one (PubChem CID 174474790) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-methyl-2,2-diphenylazetidin-3-one.

Molecular Properties

Compound Name1-methyl-2,2-diphenylazetidin-3-one
PubChem CID174474790
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-methyl-2,2-diphenylazetidin-3-one
SMILESCN1CC(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-12-15(18)16(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyBJXPLWYJHNYAJW-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-diphenylazetidin-3-one?
The IUPAC name of 1-methyl-2,2-diphenylazetidin-3-one (CID 174474790) is 1-methyl-2,2-diphenylazetidin-3-one.
What is the SMILES notation for 1-methyl-2,2-diphenylazetidin-3-one?
The canonical SMILES for 1-methyl-2,2-diphenylazetidin-3-one is CN1CC(=O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-2,2-diphenylazetidin-3-one?
The InChIKey is BJXPLWYJHNYAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-12-15(18)16(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of 1-methyl-2,2-diphenylazetidin-3-one?
1-methyl-2,2-diphenylazetidin-3-one has a molecular weight of 237.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-diphenylazetidin-3-one is sourced from PubChem (CID 174474790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).