1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone

C13H16N2O — CID 82493050

IUPAC1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
SMILESCCc1ccc2[nH]cc(C(=O)CNC)c2c1
InChIInChI=1S/C13H16N2O/c1-3-9-4-5-12-10(6-9)11(7-15-12)13(16)8-14-2/h4-7,14-15H,3,8H2,1-2H3
InChIKeyUKUAEMLGBKBYNL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.13
Rot. Bonds4

About 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone

1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone (PubChem CID 82493050) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
PubChem CID82493050
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
SMILESCCc1ccc2[nH]cc(C(=O)CNC)c2c1
InChIInChI=1S/C13H16N2O/c1-3-9-4-5-12-10(6-9)11(7-15-12)13(16)8-14-2/h4-7,14-15H,3,8H2,1-2H3
InChIKeyUKUAEMLGBKBYNL-UHFFFAOYSA-N
XLogP2.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 96610998
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
6-ethyl-3-heptanoyl-1H-quinolin-4-one
CID 44561074
3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 25235216
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679635
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone (CID 82493050) is 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone is CCc1ccc2[nH]cc(C(=O)CNC)c2c1.
What is the InChIKey of 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
The InChIKey is UKUAEMLGBKBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9-4-5-12-10(6-9)11(7-15-12)13(16)8-14-2/h4-7,14-15H,3,8H2,1-2H3.
What are the key properties of 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 82493050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).