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

C12H17N3O — CID 165447827

IUPAC1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C12H17N3O/c1-14(2)8-12(16)15-7-6-9-10(13)4-3-5-11(9)15/h3-5H,6-8,13H2,1-2H3
InChIKeyIVISRLMJQKYARR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.72
Rot. Bonds2

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

1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone (PubChem CID 165447827) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
PubChem CID165447827
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C12H17N3O/c1-14(2)8-12(16)15-7-6-9-10(13)4-3-5-11(9)15/h3-5H,6-8,13H2,1-2H3
InChIKeyIVISRLMJQKYARR-UHFFFAOYSA-N
XLogP0.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205691
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121179
4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide
CID 107653024
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone (CID 165447827) is 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCc2c(N)cccc21.
What is the InChIKey of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
The InChIKey is IVISRLMJQKYARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)8-12(16)15-7-6-9-10(13)4-3-5-11(9)15/h3-5H,6-8,13H2,1-2H3.
What are the key properties of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone has a molecular weight of 219.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 165447827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).