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

C12H17N3O — CID 141018031

IUPAC1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1c2ccccc2CC1N
InChIInChI=1S/C12H17N3O/c1-14(2)8-12(16)15-10-6-4-3-5-9(10)7-11(15)13/h3-6,11H,7-8,13H2,1-2H3
InChIKeyXIHFDZDPQZNYKA-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.42
Rot. Bonds2

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

1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone (PubChem CID 141018031) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
PubChem CID141018031
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1c2ccccc2CC1N
InChIInChI=1S/C12H17N3O/c1-14(2)8-12(16)15-10-6-4-3-5-9(10)7-11(15)13/h3-6,11H,7-8,13H2,1-2H3
InChIKeyXIHFDZDPQZNYKA-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 113158988
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 36674560
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729209
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
N-(2,6-difluorophenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113181536

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone (CID 141018031) is 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1c2ccccc2CC1N.
What is the InChIKey of 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
The InChIKey is XIHFDZDPQZNYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)8-12(16)15-10-6-4-3-5-9(10)7-11(15)13/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone?
1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone has a molecular weight of 219.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 141018031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).