3,3-diphenylazetidin-2-one

C15H13NO — CID 27502

IUPAC3,3-diphenylazetidin-2-one
SMILESO=C1NCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c17-14-15(11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKeyGGDFKZZHBPIWRA-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.10
Rot. Bonds2

About 3,3-diphenylazetidin-2-one

3,3-diphenylazetidin-2-one (PubChem CID 27502) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name3,3-diphenylazetidin-2-one
PubChem CID27502
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3,3-diphenylazetidin-2-one
SMILESO=C1NCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c17-14-15(11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKeyGGDFKZZHBPIWRA-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylazetidin-2-one?
The IUPAC name of 3,3-diphenylazetidin-2-one (CID 27502) is 3,3-diphenylazetidin-2-one.
What is the SMILES notation for 3,3-diphenylazetidin-2-one?
The canonical SMILES for 3,3-diphenylazetidin-2-one is O=C1NCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylazetidin-2-one?
The InChIKey is GGDFKZZHBPIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-14-15(11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17).
What are the key properties of 3,3-diphenylazetidin-2-one?
3,3-diphenylazetidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylazetidin-2-one is sourced from PubChem (CID 27502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).