(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one

C19H19NO2 — CID 101115524

IUPAC(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one
SMILESC=C[C@H]1[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-17-18(22-14-16-11-7-4-8-12-16)19(21)20(17)13-15-9-5-3-6-10-15/h2-12,17-18H,1,13-14H2/t17-,18+/m0/s1
InChIKeyULFUWLWZBVIXJQ-ZWKOTPCHSA-N
MW293.37 g/mol
LogP3.17
Rot. Bonds6

About (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one

(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one (PubChem CID 101115524) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one
PubChem CID101115524
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one
SMILESC=C[C@H]1[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-17-18(22-14-16-11-7-4-8-12-16)19(21)20(17)13-15-9-5-3-6-10-15/h2-12,17-18H,1,13-14H2/t17-,18+/m0/s1
InChIKeyULFUWLWZBVIXJQ-ZWKOTPCHSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.17
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

ethyl (E)-3-[(2S,3R)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl]prop-2-enoate
CID 10948526
(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one
CID 10036959
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
(3S,4R)-1-benzyl-4-(1-bromo-2-methylpropan-2-yl)-3-phenylmethoxyazetidin-2-one
CID 102175178
4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 11245716
[(2R,3R,4S)-4-acetyloxy-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 102012893
(3R,4S)-1-[(2-bromophenyl)methyl]-4-[(E)-2-dimethoxyphosphorylethenyl]-3-phenylmethoxyazetidin-2-one
CID 102172899
(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione
CID 138547119
(3R,4S)-1-benzyl-4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]-3-phenylmethoxyazetidin-2-one
CID 100990405
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
(3S,4R)-1-benzyl-3-phenylmethoxy-4-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]azetidin-2-one
CID 10720041

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one (CID 101115524) is (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one is C=C[C@H]1[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is ULFUWLWZBVIXJQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-17-18(22-14-16-11-7-4-8-12-16)19(21)20(17)13-15-9-5-3-6-10-15/h2-12,17-18H,1,13-14H2/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one?
(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 101115524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).