2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone

C11H16N2O — CID 84772465

IUPAC2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(c1C(=O)CN)CCCC2
InChIInChI=1S/C11H16N2O/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h13H,2-6,12H2,1H3
InChIKeyKUASCGRCDUWAKX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone

2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone (PubChem CID 84772465) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone
PubChem CID84772465
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(c1C(=O)CN)CCCC2
InChIInChI=1S/C11H16N2O/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h13H,2-6,12H2,1H3
InChIKeyKUASCGRCDUWAKX-UHFFFAOYSA-N
XLogP1.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone (CID 84772465) is 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone is Cc1[nH]c2c(c1C(=O)CN)CCCC2.
What is the InChIKey of 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone?
The InChIKey is KUASCGRCDUWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h13H,2-6,12H2,1H3.
What are the key properties of 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone?
2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 84772465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).