3-ethyl-1,3-dimethylindol-2-one

C12H15NO — CID 14449303

IUPAC3-ethyl-1,3-dimethylindol-2-one
SMILESCCC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-4-12(2)9-7-5-6-8-10(9)13(3)11(12)14/h5-8H,4H2,1-3H3
InChIKeyPEFLYVKFBWZAID-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.33
Rot. Bonds1

About 3-ethyl-1,3-dimethylindol-2-one

3-ethyl-1,3-dimethylindol-2-one (PubChem CID 14449303) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-ethyl-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-ethyl-1,3-dimethylindol-2-one
PubChem CID14449303
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-ethyl-1,3-dimethylindol-2-one
SMILESCCC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-4-12(2)9-7-5-6-8-10(9)13(3)11(12)14/h5-8H,4H2,1-3H3
InChIKeyPEFLYVKFBWZAID-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
CID 175686972
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
CID 175687035
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dimethylindol-2-one?
The IUPAC name of 3-ethyl-1,3-dimethylindol-2-one (CID 14449303) is 3-ethyl-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-ethyl-1,3-dimethylindol-2-one?
The canonical SMILES for 3-ethyl-1,3-dimethylindol-2-one is CCC1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-ethyl-1,3-dimethylindol-2-one?
The InChIKey is PEFLYVKFBWZAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-12(2)9-7-5-6-8-10(9)13(3)11(12)14/h5-8H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,3-dimethylindol-2-one?
3-ethyl-1,3-dimethylindol-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dimethylindol-2-one is sourced from PubChem (CID 14449303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).