(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

C18H17NO2 — CID 14068192

IUPAC(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESC=C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-3-16-17(13-7-5-4-6-8-13)19(18(16)20)14-9-11-15(21-2)12-10-14/h3-12,16-17H,1H2,2H3/t16-,17-/m0/s1
InChIKeyZUYHBWWGHOKDBS-IRXDYDNUSA-N
MW279.34 g/mol
LogP3.59
Rot. Bonds4

About (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 14068192) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID14068192
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESC=C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-3-16-17(13-7-5-4-6-8-13)19(18(16)20)14-9-11-15(21-2)12-10-14/h3-12,16-17H,1H2,2H3/t16-,17-/m0/s1
InChIKeyZUYHBWWGHOKDBS-IRXDYDNUSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.59
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

(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 10064561
methyl (E)-5-[4-[(2S,3R)-3-ethenyl-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]phenyl]pent-4-enoate
CID 101492332
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
N-benzyl-1-[(2R,3R)-3-ethenyl-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]methanimine oxide
CID 10871411

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 14068192) is (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is C=C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is ZUYHBWWGHOKDBS-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-16-17(13-7-5-4-6-8-13)19(18(16)20)14-9-11-15(21-2)12-10-14/h3-12,16-17H,1H2,2H3/t16-,17-/m0/s1.
What are the key properties of (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 14068192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).