1-(2,2-dimethyl-3H-indol-1-yl)ethanone

C12H15NO — CID 22217727

IUPAC1-(2,2-dimethyl-3H-indol-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2CC1(C)C
InChIInChI=1S/C12H15NO/c1-9(14)13-11-7-5-4-6-10(11)8-12(13,2)3/h4-7H,8H2,1-3H3
InChIKeyMHZYAONWHGPNFX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.37
Rot. Bonds

About 1-(2,2-dimethyl-3H-indol-1-yl)ethanone

1-(2,2-dimethyl-3H-indol-1-yl)ethanone (PubChem CID 22217727) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-indol-1-yl)ethanone
PubChem CID22217727
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2,2-dimethyl-3H-indol-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2CC1(C)C
InChIInChI=1S/C12H15NO/c1-9(14)13-11-7-5-4-6-10(11)8-12(13,2)3/h4-7H,8H2,1-3H3
InChIKeyMHZYAONWHGPNFX-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[(2S)-1-(2,2-dimethyl-3H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 141399127
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717
1-(4H-quinolin-1-yl)ethanone
CID 11644005
1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 138017673
(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387372
tert-butyl 2-methyl-2-(2-oxoethyl)-3H-indole-1-carboxylate;carbon dioxide
CID 158181918
2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile
CID 102140635
1-O-tert-butyl 2-O-(2-oxoethyl) 2-methyl-3H-indole-1,2-dicarboxylate
CID 175207845
1-butyl-2,2-dimethyl-3H-indole
CID 18788042
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-indol-1-yl)ethanone?
The IUPAC name of 1-(2,2-dimethyl-3H-indol-1-yl)ethanone (CID 22217727) is 1-(2,2-dimethyl-3H-indol-1-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethyl-3H-indol-1-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethyl-3H-indol-1-yl)ethanone is CC(=O)N1c2ccccc2CC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-3H-indol-1-yl)ethanone?
The InChIKey is MHZYAONWHGPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)13-11-7-5-4-6-10(11)8-12(13,2)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-indol-1-yl)ethanone?
1-(2,2-dimethyl-3H-indol-1-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-indol-1-yl)ethanone is sourced from PubChem (CID 22217727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).