3,3-dimethyl-4-phenylazetidin-2-one

C11H13NO — CID 2754218

IUPAC3,3-dimethyl-4-phenylazetidin-2-one
SMILESCC1(C)C(=O)NC1c1ccccc1
InChIInChI=1S/C11H13NO/c1-11(2)9(12-10(11)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKeyBURORIWFPNUAHC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds1

About 3,3-dimethyl-4-phenylazetidin-2-one

3,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 2754218) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID2754218
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,3-dimethyl-4-phenylazetidin-2-one
SMILESCC1(C)C(=O)NC1c1ccccc1
InChIInChI=1S/C11H13NO/c1-11(2)9(12-10(11)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKeyBURORIWFPNUAHC-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-phenylazetidin-2-one?
The IUPAC name of 3,3-dimethyl-4-phenylazetidin-2-one (CID 2754218) is 3,3-dimethyl-4-phenylazetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-phenylazetidin-2-one?
The canonical SMILES for 3,3-dimethyl-4-phenylazetidin-2-one is CC1(C)C(=O)NC1c1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-phenylazetidin-2-one?
The InChIKey is BURORIWFPNUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)9(12-10(11)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13).
What are the key properties of 3,3-dimethyl-4-phenylazetidin-2-one?
3,3-dimethyl-4-phenylazetidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 2754218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).