(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one

C19H17NO2 — CID 101494314

IUPAC(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
SMILESC=C/C=C1\C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H17NO2/c1-3-7-17-18(14-8-5-4-6-9-14)20(19(17)21)15-10-12-16(22-2)13-11-15/h3-13,18H,1H2,2H3/b17-7-/t18-/m1/s1
InChIKeyPRRLXWMMPGSVDE-CTUYBLSSSA-N
MW291.35 g/mol
LogP3.90
Rot. Bonds4

About (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one

(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one (PubChem CID 101494314) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one.

Molecular Properties

Compound Name(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
PubChem CID101494314
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
SMILESC=C/C=C1\C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H17NO2/c1-3-7-17-18(14-8-5-4-6-9-14)20(19(17)21)15-10-12-16(22-2)13-11-15/h3-13,18H,1H2,2H3/b17-7-/t18-/m1/s1
InChIKeyPRRLXWMMPGSVDE-CTUYBLSSSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
CID 100929846
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-[2-[3-[bis(prop-2-enyl)amino]propoxyimino]propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 54212469
tert-butyl (2R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 54750460
(3E)-3-[2-[2-[benzyl(methyl)amino]ethoxyimino]propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 88605295
4-[(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzaldehyde
CID 59447774
(3E)-3-[2-[3-(benzylamino)propoxyimino]propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 154198562
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(4E)-1-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678546
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237

Frequently Asked Questions

What is the IUPAC name of (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one?
The IUPAC name of (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one (CID 101494314) is (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one.
What is the SMILES notation for (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one?
The canonical SMILES for (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one is C=C/C=C1\C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one?
The InChIKey is PRRLXWMMPGSVDE-CTUYBLSSSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-7-17-18(14-8-5-4-6-9-14)20(19(17)21)15-10-12-16(22-2)13-11-15/h3-13,18H,1H2,2H3/b17-7-/t18-/m1/s1.
What are the key properties of (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one?
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one is sourced from PubChem (CID 101494314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).