1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone

C13H17NO — CID 18684894

IUPAC1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2cc(C)ccc21
InChIInChI=1S/C13H17NO/c1-9-5-6-12-11(7-9)13(3,4)8-14(12)10(2)15/h5-7H,8H2,1-4H3
InChIKeyQDBIEESHWBUKNY-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.64
Rot. Bonds

About 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone

1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone (PubChem CID 18684894) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone
PubChem CID18684894
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2cc(C)ccc21
InChIInChI=1S/C13H17NO/c1-9-5-6-12-11(7-9)13(3,4)8-14(12)10(2)15/h5-7H,8H2,1-4H3
InChIKeyQDBIEESHWBUKNY-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105564
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534
1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone
CID 135066750
1-(7,7-dimethyl-1,2,3,6-tetrahydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
CID 70392386
1-acetyl-5-fluoro-3,3-dimethyl-2H-indole-6-sulfonyl chloride;1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)ethanone
CID 158942415
1-(7,7-dimethyl-1,6-dihydropyrrolo[2,3-f]benzimidazol-5-yl)ethanone
CID 14183261
cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433761
dimethyl 3,3-dimethyl-2H-indole-1,5-dicarboxylate
CID 101144422
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone
CID 151331668
1-[6-(1-hydroxyethyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethanone
CID 14372187

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone?
The IUPAC name of 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone (CID 18684894) is 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone.
What is the SMILES notation for 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone?
The canonical SMILES for 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone is CC(=O)N1CC(C)(C)c2cc(C)ccc21.
What is the InChIKey of 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone?
The InChIKey is QDBIEESHWBUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-6-12-11(7-9)13(3,4)8-14(12)10(2)15/h5-7H,8H2,1-4H3.
What are the key properties of 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone?
1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone is sourced from PubChem (CID 18684894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).