2-amino-1-(4-methyl-1H-indol-2-yl)ethanone

C11H12N2O — CID 82405076

IUPAC2-amino-1-(4-methyl-1H-indol-2-yl)ethanone
SMILESCc1cccc2[nH]c(C(=O)CN)cc12
InChIInChI=1S/C11H12N2O/c1-7-3-2-4-9-8(7)5-10(13-9)11(14)6-12/h2-5,13H,6,12H2,1H3
InChIKeyFNQDJDKKDNYLNN-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone

2-amino-1-(4-methyl-1H-indol-2-yl)ethanone (PubChem CID 82405076) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methyl-1H-indol-2-yl)ethanone
PubChem CID82405076
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-amino-1-(4-methyl-1H-indol-2-yl)ethanone
SMILESCc1cccc2[nH]c(C(=O)CN)cc12
InChIInChI=1S/C11H12N2O/c1-7-3-2-4-9-8(7)5-10(13-9)11(14)6-12/h2-5,13H,6,12H2,1H3
InChIKeyFNQDJDKKDNYLNN-UHFFFAOYSA-N
XLogP1.62
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide
CID 54567133
2-(4-methyl-1H-indol-2-yl)ethanamine
CID 28806674
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
CID 17397079
2,4-dimethyl-1H-indole;ethane
CID 91303970
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine
CID 157048332
3-(4-hydroxy-1H-indol-2-yl)-3-oxopropanenitrile
CID 118486651

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone (CID 82405076) is 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone is Cc1cccc2[nH]c(C(=O)CN)cc12.
What is the InChIKey of 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone?
The InChIKey is FNQDJDKKDNYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-2-4-9-8(7)5-10(13-9)11(14)6-12/h2-5,13H,6,12H2,1H3.
What are the key properties of 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone?
2-amino-1-(4-methyl-1H-indol-2-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 82405076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).