(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one

C16H15NO — CID 122372873

IUPAC(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11,14-15H,1H3/t14-,15-/m1/s1
InChIKeyOMCDVIXQBXCPRC-HUUCEWRRSA-N
MW237.30 g/mol
LogP2.98
Rot. Bonds2

About (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one

(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one (PubChem CID 122372873) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
PubChem CID122372873
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11,14-15H,1H3/t14-,15-/m1/s1
InChIKeyOMCDVIXQBXCPRC-HUUCEWRRSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
CID 122372877
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
(2S,3R,4R)-4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 122155387
(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
CID 165354910
(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one
CID 11300330
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915
1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102287455
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one (CID 122372873) is (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one is CN1C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one?
The InChIKey is OMCDVIXQBXCPRC-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11,14-15H,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one?
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-methyl-3,4-diphenylazetidin-2-one is sourced from PubChem (CID 122372873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).