3-hydroxy-3-methyl-1-prop-2-enylindol-2-one

C12H13NO2 — CID 177313716

IUPAC3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(C)(O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-3-8-13-10-7-5-4-6-9(10)12(2,15)11(13)14/h3-7,15H,1,8H2,2H3
InChIKeyKUUFRWCZBBROGN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.43
Rot. Bonds2

About 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one

3-hydroxy-3-methyl-1-prop-2-enylindol-2-one (PubChem CID 177313716) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
PubChem CID177313716
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(C)(O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-3-8-13-10-7-5-4-6-9(10)12(2,15)11(13)14/h3-7,15H,1,8H2,2H3
InChIKeyKUUFRWCZBBROGN-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.43
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

(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
CID 9177418
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2957508
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
(3R)-3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 1255540
3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 2924926
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-prop-2-enylindol-2-one
CID 2945096
5-amino-3,3-dimethyl-1-prop-2-enylindol-2-one
CID 58811953
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2968130
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one?
The IUPAC name of 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one (CID 177313716) is 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one?
The canonical SMILES for 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one is C=CCN1C(=O)C(C)(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one?
The InChIKey is KUUFRWCZBBROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-13-10-7-5-4-6-9(10)12(2,15)11(13)14/h3-7,15H,1,8H2,2H3.
What are the key properties of 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one?
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-1-prop-2-enylindol-2-one is sourced from PubChem (CID 177313716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).