(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one

C20H21NO2 — CID 101377404

IUPAC(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
SMILESC=C[C@@]1(C(C)(C)O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO2/c1-4-20(19(2,3)23)17(15-11-7-5-8-12-15)21(18(20)22)16-13-9-6-10-14-16/h4-14,17,23H,1H2,2-3H3/t17-,20-/m0/s1
InChIKeyCERHBJWMNHSQBD-PXNSSMCTSA-N
MW307.39 g/mol
LogP3.72
Rot. Bonds4

About (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one

(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one (PubChem CID 101377404) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
PubChem CID101377404
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
SMILESC=C[C@@]1(C(C)(C)O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO2/c1-4-20(19(2,3)23)17(15-11-7-5-8-12-15)21(18(20)22)16-13-9-6-10-14-16/h4-14,17,23H,1H2,2-3H3/t17-,20-/m0/s1
InChIKeyCERHBJWMNHSQBD-PXNSSMCTSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
tert-butyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 602670
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769472
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
CID 15531693
(3R,4R)-3-ethenyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1-phenylazetidin-2-one
CID 101392328
(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570932
N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
CID 11003531
(4S)-1-tert-butyl-2-oxo-4-phenyl-3-prop-2-enylazetidine-3-carbonitrile
CID 171976218

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one (CID 101377404) is (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one is C=C[C@@]1(C(C)(C)O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one?
The InChIKey is CERHBJWMNHSQBD-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-20(19(2,3)23)17(15-11-7-5-8-12-15)21(18(20)22)16-13-9-6-10-14-16/h4-14,17,23H,1H2,2-3H3/t17-,20-/m0/s1.
What are the key properties of (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one?
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 101377404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).