3,3-dimethyl-1H-indol-2-one;ethanol

C12H17NO2 — CID 158151574

IUPAC3,3-dimethyl-1H-indol-2-one;ethanol
SMILESCC1(C)C(=O)Nc2ccccc21.CCO
InChIInChI=1S/C10H11NO.C2H6O/c1-10(2)7-5-3-4-6-8(7)11-9(10)12;1-2-3/h3-6H,1-2H3,(H,11,12);3H,2H2,1H3
InChIKeyFVEGIPVAXAAJJA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds

About 3,3-dimethyl-1H-indol-2-one;ethanol

3,3-dimethyl-1H-indol-2-one;ethanol (PubChem CID 158151574) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3,3-dimethyl-1H-indol-2-one;ethanol.

Molecular Properties

Compound Name3,3-dimethyl-1H-indol-2-one;ethanol
PubChem CID158151574
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3,3-dimethyl-1H-indol-2-one;ethanol
SMILESCC1(C)C(=O)Nc2ccccc21.CCO
InChIInChI=1S/C10H11NO.C2H6O/c1-10(2)7-5-3-4-6-8(7)11-9(10)12;1-2-3/h3-6H,1-2H3,(H,11,12);3H,2H2,1H3
InChIKeyFVEGIPVAXAAJJA-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one
CID 102522956
3-(1-hydroxyhexan-3-yl)-3-methyl-1H-indol-2-one
CID 102522957
N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
CID 148811384
3-butan-2-yl-3-methyl-1H-indol-2-one
CID 70850477
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
CID 146949857
CID 146949857

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1H-indol-2-one;ethanol?
The IUPAC name of 3,3-dimethyl-1H-indol-2-one;ethanol (CID 158151574) is 3,3-dimethyl-1H-indol-2-one;ethanol.
What is the SMILES notation for 3,3-dimethyl-1H-indol-2-one;ethanol?
The canonical SMILES for 3,3-dimethyl-1H-indol-2-one;ethanol is CC1(C)C(=O)Nc2ccccc21.CCO.
What is the InChIKey of 3,3-dimethyl-1H-indol-2-one;ethanol?
The InChIKey is FVEGIPVAXAAJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6O/c1-10(2)7-5-3-4-6-8(7)11-9(10)12;1-2-3/h3-6H,1-2H3,(H,11,12);3H,2H2,1H3.
What are the key properties of 3,3-dimethyl-1H-indol-2-one;ethanol?
3,3-dimethyl-1H-indol-2-one;ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-indol-2-one;ethanol is sourced from PubChem (CID 158151574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).