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

C11H16N2O — CID 70591562

IUPAC2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCNCC(=O)C1CC=CC2=C1NCC2
InChIInChI=1S/C11H16N2O/c1-12-7-10(14)9-4-2-3-8-5-6-13-11(8)9/h2-3,9,12-13H,4-7H2,1H3
InChIKeyVDKZVAKWBBXDOA-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.60
Rot. Bonds3

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

2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (PubChem CID 70591562) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
PubChem CID70591562
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCNCC(=O)C1CC=CC2=C1NCC2
InChIInChI=1S/C11H16N2O/c1-12-7-10(14)9-4-2-3-8-5-6-13-11(8)9/h2-3,9,12-13H,4-7H2,1H3
InChIKeyVDKZVAKWBBXDOA-UHFFFAOYSA-N
XLogP0.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
3-bromo-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70592822
2-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
CID 70593022
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

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (CID 70591562) is 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is CNCC(=O)C1CC=CC2=C1NCC2.
What is the InChIKey of 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The InChIKey is VDKZVAKWBBXDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-7-10(14)9-4-2-3-8-5-6-13-11(8)9/h2-3,9,12-13H,4-7H2,1H3.
What are the key properties of 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is sourced from PubChem (CID 70591562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).