2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone

C12H14N2O — CID 82397100

IUPAC2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
SMILESCNCC(=O)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-8-3-4-10-9(5-8)6-11(14-10)12(15)7-13-2/h3-6,13-14H,7H2,1-2H3
InChIKeyNJERTWIGSFCYBE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.88
Rot. Bonds3

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

2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone (PubChem CID 82397100) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
PubChem CID82397100
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
SMILESCNCC(=O)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-8-3-4-10-9(5-8)6-11(14-10)12(15)7-13-2/h3-6,13-14H,7H2,1-2H3
InChIKeyNJERTWIGSFCYBE-UHFFFAOYSA-N
XLogP1.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
CID 145277131
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 59088763
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 130426379
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone (CID 82397100) is 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone is CNCC(=O)c1cc2cc(C)ccc2[nH]1.
What is the InChIKey of 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone?
The InChIKey is NJERTWIGSFCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-4-10-9(5-8)6-11(14-10)12(15)7-13-2/h3-6,13-14H,7H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone?
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone has a molecular weight of 202.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 82397100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).