2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone

C13H20N2O — CID 70593131

IUPAC2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCC1C=CC2=C(NCC2)C1C(=O)CN(C)C
InChIInChI=1S/C13H20N2O/c1-9-4-5-10-6-7-14-13(10)12(9)11(16)8-15(2)3/h4-5,9,12,14H,6-8H2,1-3H3
InChIKeyMCAOXRMPEPZLMB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.19
Rot. Bonds3

About 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone

2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (PubChem CID 70593131) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
PubChem CID70593131
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCC1C=CC2=C(NCC2)C1C(=O)CN(C)C
InChIInChI=1S/C13H20N2O/c1-9-4-5-10-6-7-14-13(10)12(9)11(16)8-15(2)3/h4-5,9,12,14H,6-8H2,1-3H3
InChIKeyMCAOXRMPEPZLMB-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (CID 70593131) is 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is CC1C=CC2=C(NCC2)C1C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The InChIKey is MCAOXRMPEPZLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-10-6-7-14-13(10)12(9)11(16)8-15(2)3/h4-5,9,12,14H,6-8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is sourced from PubChem (CID 70593131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).