(2R)-1-benzhydryl-2-methylazetidin-3-one

C17H17NO — CID 92860345

IUPAC(2R)-1-benzhydryl-2-methylazetidin-3-one
SMILESC[C@@H]1C(=O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-/m1/s1
InChIKeyNKWWUKVQOATGAN-CYBMUJFWSA-N
MW251.33 g/mol
LogP3.05
Rot. Bonds3

About (2R)-1-benzhydryl-2-methylazetidin-3-one

(2R)-1-benzhydryl-2-methylazetidin-3-one (PubChem CID 92860345) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-1-benzhydryl-2-methylazetidin-3-one.

Molecular Properties

Compound Name(2R)-1-benzhydryl-2-methylazetidin-3-one
PubChem CID92860345
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2R)-1-benzhydryl-2-methylazetidin-3-one
SMILESC[C@@H]1C(=O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-/m1/s1
InChIKeyNKWWUKVQOATGAN-CYBMUJFWSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzhydryl-2-methylazetidin-3-one?
The IUPAC name of (2R)-1-benzhydryl-2-methylazetidin-3-one (CID 92860345) is (2R)-1-benzhydryl-2-methylazetidin-3-one.
What is the SMILES notation for (2R)-1-benzhydryl-2-methylazetidin-3-one?
The canonical SMILES for (2R)-1-benzhydryl-2-methylazetidin-3-one is C[C@@H]1C(=O)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-benzhydryl-2-methylazetidin-3-one?
The InChIKey is NKWWUKVQOATGAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-benzhydryl-2-methylazetidin-3-one?
(2R)-1-benzhydryl-2-methylazetidin-3-one has a molecular weight of 251.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzhydryl-2-methylazetidin-3-one is sourced from PubChem (CID 92860345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).