(4R)-3,3-dimethyl-4-phenylazetidin-2-one

C11H13NO — CID 7034516

IUPAC(4R)-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCC1(C)C(=O)N[C@@H]1c1ccccc1
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)/t9-/m1/s1
InChIKeyBURORIWFPNUAHC-SECBINFHSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds1

About (4R)-3,3-dimethyl-4-phenylazetidin-2-one

(4R)-3,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 7034516) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4R)-3,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID7034516
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4R)-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCC1(C)C(=O)N[C@@H]1c1ccccc1
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)/t9-/m1/s1
InChIKeyBURORIWFPNUAHC-SECBINFHSA-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dimethyl-4-phenylazetidin-2-one?
The IUPAC name of (4R)-3,3-dimethyl-4-phenylazetidin-2-one (CID 7034516) is (4R)-3,3-dimethyl-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-3,3-dimethyl-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-3,3-dimethyl-4-phenylazetidin-2-one is CC1(C)C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-3,3-dimethyl-4-phenylazetidin-2-one?
The InChIKey is BURORIWFPNUAHC-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (4R)-3,3-dimethyl-4-phenylazetidin-2-one?
(4R)-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 (4R)-3,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 7034516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).