2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C16H23N3O — CID 115486415

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCC1CC(CN)CN1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H23N3O/c1-12-8-13(9-17)10-18(12)11-16(20)19-7-6-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11,17H2,1H3
InChIKeyFNZDREFIPIIVLY-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.24
Rot. Bonds3

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 115486415) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID115486415
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCC1CC(CN)CN1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H23N3O/c1-12-8-13(9-17)10-18(12)11-16(20)19-7-6-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11,17H2,1H3
InChIKeyFNZDREFIPIIVLY-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115486453
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 162628448
1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778930
1-(2,3-dihydroindol-1-yl)-2-[(2S,6R)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778929
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 17479588
(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 128987041
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 115486415) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is CC1CC(CN)CN1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is FNZDREFIPIIVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-8-13(9-17)10-18(12)11-16(20)19-7-6-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 115486415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).