5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one

C13H17NO2 — CID 116928648

IUPAC5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC(C)(C)O)ccc21
InChIInChI=1S/C13H17NO2/c1-13(2,16)8-9-4-5-11-10(6-9)7-12(15)14(11)3/h4-6,16H,7-8H2,1-3H3
InChIKeyFDRPSQMPCLOWSW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.52
Rot. Bonds2

About 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one

5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one (PubChem CID 116928648) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
PubChem CID116928648
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC(C)(C)O)ccc21
InChIInChI=1S/C13H17NO2/c1-13(2,16)8-9-4-5-11-10(6-9)7-12(15)14(11)3/h4-6,16H,7-8H2,1-3H3
InChIKeyFDRPSQMPCLOWSW-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
1-methyl-5-[2-methyl-2-(methylamino)propyl]-3H-indol-2-one
CID 82289780
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
CID 116930762
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768313
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
CID 115121498
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 110799888

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one (CID 116928648) is 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(CC(C)(C)O)ccc21.
What is the InChIKey of 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
The InChIKey is FDRPSQMPCLOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,16)8-9-4-5-11-10(6-9)7-12(15)14(11)3/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116928648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).