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

C16H15NO — CID 852748

IUPAC(3R,4S)-3-methyl-1,4-diphenylazetidin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)17(16(12)18)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15+/m1/s1
InChIKeyQURMOGAHPSNBBS-DOMZBBRYSA-N
MW237.30 g/mol
LogP3.41
Rot. Bonds2

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

(3R,4S)-3-methyl-1,4-diphenylazetidin-2-one (PubChem CID 852748) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methyl-1,4-diphenylazetidin-2-one
PubChem CID852748
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(3R,4S)-3-methyl-1,4-diphenylazetidin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)17(16(12)18)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15+/m1/s1
InChIKeyQURMOGAHPSNBBS-DOMZBBRYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one (CID 852748) is (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one is C[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one?
The InChIKey is QURMOGAHPSNBBS-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)17(16(12)18)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one?
(3R,4S)-3-methyl-1,4-diphenylazetidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 852748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).