(3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one

C14H17NO2 — CID 10728227

IUPAC(3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one
SMILESCO[C@@H]1C(=O)N(C)[C@@H]1/C(C)=C\c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(9-11-7-5-4-6-8-11)12-13(17-3)14(16)15(12)2/h4-9,12-13H,1-3H3/b10-9-/t12-,13+/m1/s1
InChIKeyFFYXEJMLTHUZRI-BWFAQCLASA-N
MW231.30 g/mol
LogP1.95
Rot. Bonds3

About (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one

(3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one (PubChem CID 10728227) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one
PubChem CID10728227
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one
SMILESCO[C@@H]1C(=O)N(C)[C@@H]1/C(C)=C\c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(9-11-7-5-4-6-8-11)12-13(17-3)14(16)15(12)2/h4-9,12-13H,1-3H3/b10-9-/t12-,13+/m1/s1
InChIKeyFFYXEJMLTHUZRI-BWFAQCLASA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one (CID 10728227) is (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one is CO[C@@H]1C(=O)N(C)[C@@H]1/C(C)=C\c1ccccc1.
What is the InChIKey of (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The InChIKey is FFYXEJMLTHUZRI-BWFAQCLASA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(9-11-7-5-4-6-8-11)12-13(17-3)14(16)15(12)2/h4-9,12-13H,1-3H3/b10-9-/t12-,13+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one?
(3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-methyl-4-[(Z)-1-phenylprop-1-en-2-yl]azetidin-2-one is sourced from PubChem (CID 10728227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).