3-methyl-4-phenylazetidin-2-one

C10H11NO — CID 13000003

IUPAC3-methyl-4-phenylazetidin-2-one
SMILESCC1C(=O)NC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-7-9(11-10(7)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)
InChIKeyNTBKASWPIFDNRJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.49
Rot. Bonds1

About 3-methyl-4-phenylazetidin-2-one

3-methyl-4-phenylazetidin-2-one (PubChem CID 13000003) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3-methyl-4-phenylazetidin-2-one
PubChem CID13000003
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methyl-4-phenylazetidin-2-one
SMILESCC1C(=O)NC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-7-9(11-10(7)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)
InChIKeyNTBKASWPIFDNRJ-UHFFFAOYSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-phenylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylazetidin-2-one?
The IUPAC name of 3-methyl-4-phenylazetidin-2-one (CID 13000003) is 3-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for 3-methyl-4-phenylazetidin-2-one?
The canonical SMILES for 3-methyl-4-phenylazetidin-2-one is CC1C(=O)NC1c1ccccc1.
What is the InChIKey of 3-methyl-4-phenylazetidin-2-one?
The InChIKey is NTBKASWPIFDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-9(11-10(7)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12).
What are the key properties of 3-methyl-4-phenylazetidin-2-one?
3-methyl-4-phenylazetidin-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 13000003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).