1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane

C14H23N3O — CID 144637224

IUPAC1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
SMILESCC.CN(C)CC(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C12H17N3O.C2H6/c1-14(2)8-12(16)15-6-5-9-7-10(13)3-4-11(9)15;1-2/h3-4,7H,5-6,8,13H2,1-2H3;1-2H3
InChIKeyUSFCTVKPZHXOMZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.75
Rot. Bonds2

About 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane

1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane (PubChem CID 144637224) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane.

Molecular Properties

Compound Name1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
PubChem CID144637224
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
SMILESCC.CN(C)CC(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C12H17N3O.C2H6/c1-14(2)8-12(16)15-6-5-9-7-10(13)3-4-11(9)15;1-2/h3-4,7H,5-6,8,13H2,1-2H3;1-2H3
InChIKeyUSFCTVKPZHXOMZ-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.75
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-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639
1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205511
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62056525
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 159388986

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane?
The IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane (CID 144637224) is 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane.
What is the SMILES notation for 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane?
The canonical SMILES for 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane is CC.CN(C)CC(=O)N1CCc2cc(N)ccc21.
What is the InChIKey of 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane?
The InChIKey is USFCTVKPZHXOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.C2H6/c1-14(2)8-12(16)15-6-5-9-7-10(13)3-4-11(9)15;1-2/h3-4,7H,5-6,8,13H2,1-2H3;1-2H3.
What are the key properties of 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane?
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane has a molecular weight of 249.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane is sourced from PubChem (CID 144637224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).