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

C12H18N2O — CID 70593022

IUPAC2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCN(C)CC(=O)C1CC=CC2=C1NCC2
InChIInChI=1S/C12H18N2O/c1-14(2)8-11(15)10-5-3-4-9-6-7-13-12(9)10/h3-4,10,13H,5-8H2,1-2H3
InChIKeyMIJOSGRYECDWGV-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.94
Rot. Bonds3

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

2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (PubChem CID 70593022) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
PubChem CID70593022
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCN(C)CC(=O)C1CC=CC2=C1NCC2
InChIInChI=1S/C12H18N2O/c1-14(2)8-11(15)10-5-3-4-9-6-7-13-12(9)10/h3-4,10,13H,5-8H2,1-2H3
InChIKeyMIJOSGRYECDWGV-UHFFFAOYSA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Amino-4,6-difluorocyclohexa-2,4-dien-1-yl)-2-(tert-butylamino)ethanone
CID 172235527
1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone
CID 70572792
2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
CID 70591214
3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591226
3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591500
2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
CID 70591562
3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591594
1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one
CID 70591820
4-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)butan-1-one
CID 70592185
2-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
CID 70593131
1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one
CID 70593268
3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70594756

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (CID 70593022) is 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is CN(C)CC(=O)C1CC=CC2=C1NCC2.
What is the InChIKey of 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The InChIKey is MIJOSGRYECDWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)8-11(15)10-5-3-4-9-6-7-13-12(9)10/h3-4,10,13H,5-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is sourced from PubChem (CID 70593022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).