3-hydroxy-1-methyl-3-phenylazetidin-2-one

C10H11NO2 — CID 12610933

IUPAC3-hydroxy-1-methyl-3-phenylazetidin-2-one
SMILESCN1CC(O)(c2ccccc2)C1=O
InChIInChI=1S/C10H11NO2/c1-11-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyHESLKSAURQCLQK-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.35
Rot. Bonds1

About 3-hydroxy-1-methyl-3-phenylazetidin-2-one

3-hydroxy-1-methyl-3-phenylazetidin-2-one (PubChem CID 12610933) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-phenylazetidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-phenylazetidin-2-one
PubChem CID12610933
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-hydroxy-1-methyl-3-phenylazetidin-2-one
SMILESCN1CC(O)(c2ccccc2)C1=O
InChIInChI=1S/C10H11NO2/c1-11-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyHESLKSAURQCLQK-UHFFFAOYSA-N
XLogP0.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-phenylazetidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-phenylazetidin-2-one (CID 12610933) is 3-hydroxy-1-methyl-3-phenylazetidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-phenylazetidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-phenylazetidin-2-one is CN1CC(O)(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-3-phenylazetidin-2-one?
The InChIKey is HESLKSAURQCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-phenylazetidin-2-one?
3-hydroxy-1-methyl-3-phenylazetidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-phenylazetidin-2-one is sourced from PubChem (CID 12610933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).