6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione

C15H19N3O2 — CID 79314091

IUPAC6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione
SMILESCN(CC1CCCN1C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C15H19N3O2/c1-17-7-3-4-11(17)9-18(2)10-5-6-12-13(8-10)16-15(20)14(12)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,19,20)
InChIKeyILMMRVJXYNZVCJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds3

About 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione

6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione (PubChem CID 79314091) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione
PubChem CID79314091
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione
SMILESCN(CC1CCCN1C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C15H19N3O2/c1-17-7-3-4-11(17)9-18(2)10-5-6-12-13(8-10)16-15(20)14(12)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,19,20)
InChIKeyILMMRVJXYNZVCJ-UHFFFAOYSA-N
XLogP1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 43586415
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione
CID 43586469
3-[(2,3-dioxo-1H-indol-6-yl)-methylamino]propanenitrile
CID 43586421
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310746
6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione
CID 61411647
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione?
The IUPAC name of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione (CID 79314091) is 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione is CN(CC1CCCN1C)c1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione?
The InChIKey is ILMMRVJXYNZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-7-3-4-11(17)9-18(2)10-5-6-12-13(8-10)16-15(20)14(12)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,19,20).
What are the key properties of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione?
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione has a molecular weight of 273.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79314091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).