(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one

C18H17NO — CID 11265521

IUPAC(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
SMILESC=CC1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-16-17(15-11-7-4-8-12-15)19(18(16)20)13-14-9-5-3-6-10-14/h2-12,16-17H,1,13H2/t16?,17-/m1/s1
InChIKeyRMFGKQWSMABWAV-ZYMOGRSISA-N
MW263.34 g/mol
LogP3.57
Rot. Bonds4

About (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one

(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one (PubChem CID 11265521) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
PubChem CID11265521
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
SMILESC=CC1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-16-17(15-11-7-4-8-12-15)19(18(16)20)13-14-9-5-3-6-10-14/h2-12,16-17H,1,13H2/t16?,17-/m1/s1
InChIKeyRMFGKQWSMABWAV-ZYMOGRSISA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
CID 134919617
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one
CID 10036959
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(3S,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-4-phenylazetidin-2-one
CID 102439574
(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
CID 100964466
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one?
The IUPAC name of (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one (CID 11265521) is (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one is C=CC1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one?
The InChIKey is RMFGKQWSMABWAV-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H17NO/c1-2-16-17(15-11-7-4-8-12-15)19(18(16)20)13-14-9-5-3-6-10-14/h2-12,16-17H,1,13H2/t16?,17-/m1/s1.
What are the key properties of (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one?
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one is sourced from PubChem (CID 11265521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).