3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one

C20H20N2O2 — CID 11359113

IUPAC3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(CN(Cc3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-2-12-22-18-11-7-6-10-17(18)20(19(22)23)14-21(15-24-20)13-16-8-4-3-5-9-16/h2-11H,1,12-15H2
InChIKeyBRALENFLHGUUIO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.90
Rot. Bonds4

About 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one

3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one (PubChem CID 11359113) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one
PubChem CID11359113
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(CN(Cc3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-2-12-22-18-11-7-6-10-17(18)20(19(22)23)14-21(15-24-20)13-16-8-4-3-5-9-16/h2-11H,1,12-15H2
InChIKeyBRALENFLHGUUIO-UHFFFAOYSA-N
XLogP2.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione
CID 135305792
5-benzyl-1-(2-methylpropyl)-1'-prop-2-enylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indole]-2',4,6-trione
CID 4148953
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
(1S,3R,3aR,6aS)-5-benzyl-1-methyl-1'-prop-2-enylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 7235983
(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 723021
5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102583375
(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
CID 9177418
tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one?
The IUPAC name of 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one (CID 11359113) is 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one.
What is the SMILES notation for 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one?
The canonical SMILES for 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one is C=CCN1C(=O)C2(CN(Cc3ccccc3)CO2)c2ccccc21.
What is the InChIKey of 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one?
The InChIKey is BRALENFLHGUUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-12-22-18-11-7-6-10-17(18)20(19(22)23)14-21(15-24-20)13-16-8-4-3-5-9-16/h2-11H,1,12-15H2.
What are the key properties of 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one?
3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one has a molecular weight of 320.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one is sourced from PubChem (CID 11359113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).