3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one

C15H17NO2 — CID 132572570

IUPAC3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
SMILESC=CCN1C(=O)C(CO)(CC=C)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-3-9-15(11-17)12-7-5-6-8-13(12)16(10-4-2)14(15)18/h3-8,17H,1-2,9-11H2
InChIKeyISJMTJYBQUIHED-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.03
Rot. Bonds5

About 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one

3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one (PubChem CID 132572570) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
PubChem CID132572570
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
SMILESC=CCN1C(=O)C(CO)(CC=C)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-3-9-15(11-17)12-7-5-6-8-13(12)16(10-4-2)14(15)18/h3-8,17H,1-2,9-11H2
InChIKeyISJMTJYBQUIHED-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
CID 9177418
(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol
CID 125463645
2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
CID 11402284
(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 723021
2-[1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetonitrile
CID 11243776
3-hydroxy-3-prop-2-enyl-1-prop-2-ynylindol-2-one
CID 162398841
5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102583375
3-benzyl-1'-prop-2-enylspiro[1,3-oxazolidine-5,3'-indole]-2'-one
CID 11359113

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one?
The IUPAC name of 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one (CID 132572570) is 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one is C=CCN1C(=O)C(CO)(CC=C)c2ccccc21.
What is the InChIKey of 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one?
The InChIKey is ISJMTJYBQUIHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-9-15(11-17)12-7-5-6-8-13(12)16(10-4-2)14(15)18/h3-8,17H,1-2,9-11H2.
What are the key properties of 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one?
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one is sourced from PubChem (CID 132572570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).