(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one

C14H19NO2 — CID 125485596

IUPAC(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one
SMILESCCCC[C@]1(c2cccc(OC)c2)CNC1=O
InChIInChI=1S/C14H19NO2/c1-3-4-8-14(10-15-13(14)16)11-6-5-7-12(9-11)17-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16)/t14-/m1/s1
InChIKeyNJPFROHEQLZZKW-CQSZACIVSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds5

About (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one

(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one (PubChem CID 125485596) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one
PubChem CID125485596
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one
SMILESCCCC[C@]1(c2cccc(OC)c2)CNC1=O
InChIInChI=1S/C14H19NO2/c1-3-4-8-14(10-15-13(14)16)11-6-5-7-12(9-11)17-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16)/t14-/m1/s1
InChIKeyNJPFROHEQLZZKW-CQSZACIVSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one (CID 125485596) is (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one is CCCC[C@]1(c2cccc(OC)c2)CNC1=O.
What is the InChIKey of (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is NJPFROHEQLZZKW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-8-14(10-15-13(14)16)11-6-5-7-12(9-11)17-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16)/t14-/m1/s1.
What are the key properties of (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one?
(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 125485596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).