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

C19H19NO2 — CID 10266407

IUPAC(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
SMILESC=C[C@H]1C(=O)N(Cc2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-17-18(15-7-5-4-6-8-15)20(19(17)21)13-14-9-11-16(22-2)12-10-14/h3-12,17-18H,1,13H2,2H3/t17-,18-/m1/s1
InChIKeyCYCLEOFZJRSNIE-QZTJIDSGSA-N
MW293.37 g/mol
LogP3.58
Rot. Bonds5

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

(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one (PubChem CID 10266407) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
PubChem CID10266407
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
SMILESC=C[C@H]1C(=O)N(Cc2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-17-18(15-7-5-4-6-8-15)20(19(17)21)13-14-9-11-16(22-2)12-10-14/h3-12,17-18H,1,13H2,2H3/t17-,18-/m1/s1
InChIKeyCYCLEOFZJRSNIE-QZTJIDSGSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-4-nitro-5-phenylpyrrolidin-2-one
CID 154983171
(3S,4S,5R)-3-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-4-nitro-5-phenylpyrrolidin-2-one
CID 154598200
5-(bromomethyl)-1-[(4-methoxyphenyl)methyl]-6-phenylpiperidin-2-one
CID 122621996
(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 118631978
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(3R,3aS,7aS)-1-[(4-methoxyphenyl)methyl]-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 10664533
benzyl N-[(1R)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 10576904
benzyl N-[(1S)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 100979222
1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
CID 134833560
(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 166443703

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one (CID 10266407) is (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one is C=C[C@H]1C(=O)N(Cc2ccc(OC)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one?
The InChIKey is CYCLEOFZJRSNIE-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-17-18(15-7-5-4-6-8-15)20(19(17)21)13-14-9-11-16(22-2)12-10-14/h3-12,17-18H,1,13H2,2H3/t17-,18-/m1/s1.
What are the key properties of (3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one?
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.58, 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)methyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 10266407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).