(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one

C21H21NO2 — CID 10064561

IUPAC(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
SMILESC=C[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1/C(C)=C/c1ccccc1
InChIInChI=1S/C21H21NO2/c1-4-19-20(15(2)14-16-8-6-5-7-9-16)22(21(19)23)17-10-12-18(24-3)13-11-17/h4-14,19-20H,1H2,2-3H3/b15-14+/t19-,20-/m1/s1
InChIKeyIVSJWBGSVLGYBJ-ICQOZSIZSA-N
MW319.40 g/mol
LogP4.32
Rot. Bonds5

About (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one

(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one (PubChem CID 10064561) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
PubChem CID10064561
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
SMILESC=C[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1/C(C)=C/c1ccccc1
InChIInChI=1S/C21H21NO2/c1-4-19-20(15(2)14-16-8-6-5-7-9-16)22(21(19)23)17-10-12-18(24-3)13-11-17/h4-14,19-20H,1H2,2-3H3/b15-14+/t19-,20-/m1/s1
InChIKeyIVSJWBGSVLGYBJ-ICQOZSIZSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4S)-4-[(E)-but-2-en-2-yl]-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 177457722
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione
CID 71963921
(3S,4S)-4-benzoyl-1-(4-methoxyphenyl)-3-prop-1-en-2-ylazetidin-2-one
CID 102241614
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
N-benzyl-1-[(2R,3R)-3-ethenyl-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]methanimine oxide
CID 10871411
(3S,4S)-3-ethenyl-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 10758748
(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 10782603
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
CID 67698706
methyl (2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 100915474
3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one (CID 10064561) is (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one is C=C[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1/C(C)=C/c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The InChIKey is IVSJWBGSVLGYBJ-ICQOZSIZSA-N. The full InChI is InChI=1S/C21H21NO2/c1-4-19-20(15(2)14-16-8-6-5-7-9-16)22(21(19)23)17-10-12-18(24-3)13-11-17/h4-14,19-20H,1H2,2-3H3/b15-14+/t19-,20-/m1/s1.
What are the key properties of (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one has a molecular weight of 319.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one is sourced from PubChem (CID 10064561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).