1-(4-amino-2,3-dihydroindol-1-yl)ethanone

C10H12N2O — CID 13236630

IUPAC1-(4-amino-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C10H12N2O/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6,11H2,1H3
InChIKeyNADMMXZGSDHVNN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds

About 1-(4-amino-2,3-dihydroindol-1-yl)ethanone

1-(4-amino-2,3-dihydroindol-1-yl)ethanone (PubChem CID 13236630) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydroindol-1-yl)ethanone
PubChem CID13236630
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(4-amino-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C10H12N2O/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6,11H2,1H3
InChIKeyNADMMXZGSDHVNN-UHFFFAOYSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-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

Related Compounds

1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone
CID 81324284
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850612
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65434753

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)ethanone (CID 13236630) is 1-(4-amino-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2c(N)cccc21.
What is the InChIKey of 1-(4-amino-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NADMMXZGSDHVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6,11H2,1H3.
What are the key properties of 1-(4-amino-2,3-dihydroindol-1-yl)ethanone?
1-(4-amino-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 13236630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).