(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one

C20H19NO3 — CID 100929846

IUPAC(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
SMILESC=C/C=C1/C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C20H19NO3/c1-4-5-18-19(14-6-10-16(23-2)11-7-14)21(20(18)22)15-8-12-17(24-3)13-9-15/h4-13,19H,1H2,2-3H3/b18-5+
InChIKeyUCACPLLFGFWJOX-BLLMUTORSA-N
MW321.38 g/mol
LogP3.90
Rot. Bonds5

About (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one

(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one (PubChem CID 100929846) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one.

Molecular Properties

Compound Name(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
PubChem CID100929846
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
SMILESC=C/C=C1/C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C20H19NO3/c1-4-5-18-19(14-6-10-16(23-2)11-7-14)21(20(18)22)15-8-12-17(24-3)13-9-15/h4-13,19H,1H2,2-3H3/b18-5+
InChIKeyUCACPLLFGFWJOX-BLLMUTORSA-N
XLogP3.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
3-[2-[3-[bis(prop-2-enyl)amino]propoxyimino]propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 54212469
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R)-4-[(1E)-buta-1,3-dienyl]-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 100932718
5-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 73438724
(4E,5S)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 98377511

Frequently Asked Questions

What is the IUPAC name of (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one?
The IUPAC name of (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one (CID 100929846) is (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one.
What is the SMILES notation for (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one?
The canonical SMILES for (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one is C=C/C=C1/C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one?
The InChIKey is UCACPLLFGFWJOX-BLLMUTORSA-N. The full InChI is InChI=1S/C20H19NO3/c1-4-5-18-19(14-6-10-16(23-2)11-7-14)21(20(18)22)15-8-12-17(24-3)13-9-15/h4-13,19H,1H2,2-3H3/b18-5+.
What are the key properties of (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one?
(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one is sourced from PubChem (CID 100929846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).