1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone

C13H16N2O — CID 115146258

IUPAC1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone
SMILESCCN(C)c1[nH]c2ccccc2c1C(C)=O
InChIInChI=1S/C13H16N2O/c1-4-15(3)13-12(9(2)16)10-7-5-6-8-11(10)14-13/h5-8,14H,4H2,1-3H3
InChIKeyNIGPPIKBOYOMAV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds3

About 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone

1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone (PubChem CID 115146258) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone
PubChem CID115146258
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone
SMILESCCN(C)c1[nH]c2ccccc2c1C(C)=O
InChIInChI=1S/C13H16N2O/c1-4-15(3)13-12(9(2)16)10-7-5-6-8-11(10)14-13/h5-8,14H,4H2,1-3H3
InChIKeyNIGPPIKBOYOMAV-UHFFFAOYSA-N
XLogP2.83
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
CID 115146259
1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone
CID 115146277
2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid
CID 115146320
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
1-[3-(dimethylamino)-1H-indol-2-yl]ethanone
CID 124705743
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
9H-carbazole;propanoic acid
CID 68841226
2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146312

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone (CID 115146258) is 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone is CCN(C)c1[nH]c2ccccc2c1C(C)=O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone?
The InChIKey is NIGPPIKBOYOMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-15(3)13-12(9(2)16)10-7-5-6-8-11(10)14-13/h5-8,14H,4H2,1-3H3.
What are the key properties of 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone?
1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone is sourced from PubChem (CID 115146258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).