(3S,4S)-3-ethyl-4-phenylazetidin-2-one

C11H13NO — CID 7056749

IUPAC(3S,4S)-3-ethyl-4-phenylazetidin-2-one
SMILESCC[C@@H]1C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-9-10(12-11(9)13)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyYAUCTLNBMDWRBQ-VHSXEESVSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds2

About (3S,4S)-3-ethyl-4-phenylazetidin-2-one

(3S,4S)-3-ethyl-4-phenylazetidin-2-one (PubChem CID 7056749) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-4-phenylazetidin-2-one
PubChem CID7056749
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3S,4S)-3-ethyl-4-phenylazetidin-2-one
SMILESCC[C@@H]1C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-9-10(12-11(9)13)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyYAUCTLNBMDWRBQ-VHSXEESVSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

4-benzyl-3-ethylazetidin-2-one
CID 85185683
(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one
CID 118328038
4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 142986299
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
(3S,4S)-3-fluoro-4-phenylazetidin-2-one
CID 101430981
2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
CID 78268048
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one
CID 81422518

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-4-phenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-ethyl-4-phenylazetidin-2-one (CID 7056749) is (3S,4S)-3-ethyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-ethyl-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-ethyl-4-phenylazetidin-2-one is CC[C@@H]1C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-3-ethyl-4-phenylazetidin-2-one?
The InChIKey is YAUCTLNBMDWRBQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-9-10(12-11(9)13)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,12,13)/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-3-ethyl-4-phenylazetidin-2-one?
(3S,4S)-3-ethyl-4-phenylazetidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 7056749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).