5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one

C19H16N2O2S — CID 102583375

IUPAC5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(NC(=S)OC2c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O2S/c1-2-12-21-15-11-7-6-10-14(15)19(17(21)22)16(23-18(24)20-19)13-8-4-3-5-9-13/h2-11,16H,1,12H2,(H,20,24)
InChIKeyHMYGBFNAQNFHEI-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.06
Rot. Bonds3

About 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one

5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one (PubChem CID 102583375) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one.

Molecular Properties

Compound Name5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
PubChem CID102583375
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(NC(=S)OC2c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O2S/c1-2-12-21-15-11-7-6-10-14(15)19(17(21)22)16(23-18(24)20-19)13-8-4-3-5-9-13/h2-11,16H,1,12H2,(H,20,24)
InChIKeyHMYGBFNAQNFHEI-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1'-methyl-5-(4-methylphenyl)-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102097042
(4S,5S)-5-(3-fluorophenyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102097039
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 723021
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
(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
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
(1R,3R,3aS,6aR)-1-benzyl-5-methyl-1'-prop-2-enylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 99983569
sodium 5-phenyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54600111
(4R,5S)-1'-methyl-5-propan-2-yl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102443852
(1S,3S,3aR,6aS)-5-methyl-1-(2-methylsulfanylethyl)-1'-prop-2-enylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 11896946
(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
CID 102258798

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one?
The IUPAC name of 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one (CID 102583375) is 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one.
What is the SMILES notation for 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one?
The canonical SMILES for 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one is C=CCN1C(=O)C2(NC(=S)OC2c2ccccc2)c2ccccc21.
What is the InChIKey of 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one?
The InChIKey is HMYGBFNAQNFHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-2-12-21-15-11-7-6-10-14(15)19(17(21)22)16(23-18(24)20-19)13-8-4-3-5-9-13/h2-11,16H,1,12H2,(H,20,24).
What are the key properties of 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one?
5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one has a molecular weight of 336.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one is sourced from PubChem (CID 102583375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).