2-amino-1-(2,3-dihydroindol-1-yl)ethanone

C10H12N2O — CID 22034314

IUPAC2-amino-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNCC(=O)N1CCc2ccccc21
InChIInChI=1S/C10H12N2O/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7,11H2
InChIKeyWLXBBTRDAKJZQM-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.53
Rot. Bonds1

About 2-amino-1-(2,3-dihydroindol-1-yl)ethanone

2-amino-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 22034314) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID22034314
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNCC(=O)N1CCc2ccccc21
InChIInChI=1S/C10H12N2O/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7,11H2
InChIKeyWLXBBTRDAKJZQM-UHFFFAOYSA-N
XLogP0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2,3-dihydroindol-1-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-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)ethanone (CID 22034314) is 2-amino-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(2,3-dihydroindol-1-yl)ethanone is NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-amino-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WLXBBTRDAKJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7,11H2.
What are the key properties of 2-amino-1-(2,3-dihydroindol-1-yl)ethanone?
2-amino-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 22034314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).