(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one

C12H13NO2 — CID 67831878

IUPAC(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
SMILESCO[C@@H]1C(=O)N[C@@H]1C=Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-15-11-10(13-12(11)14)8-7-9-5-3-2-4-6-9/h2-8,10-11H,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKeyBTTYFSKJXZRHCB-MNOVXSKESA-N
MW203.24 g/mol
LogP1.21
Rot. Bonds3

About (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one

(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one (PubChem CID 67831878) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
PubChem CID67831878
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
SMILESCO[C@@H]1C(=O)N[C@@H]1C=Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-15-11-10(13-12(11)14)8-7-9-5-3-2-4-6-9/h2-8,10-11H,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKeyBTTYFSKJXZRHCB-MNOVXSKESA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one (CID 67831878) is (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one is CO[C@@H]1C(=O)N[C@@H]1C=Cc1ccccc1.
What is the InChIKey of (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one?
The InChIKey is BTTYFSKJXZRHCB-MNOVXSKESA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-11-10(13-12(11)14)8-7-9-5-3-2-4-6-9/h2-8,10-11H,1H3,(H,13,14)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one?
(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one is sourced from PubChem (CID 67831878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).