6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C15H21N3O3 — CID 103534541

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CC(OC)C(OC)C3)ccc21
InChIInChI=1S/C15H21N3O3/c1-16-14-10-5-4-9(6-11(10)17-15(14)19)18-7-12(20-2)13(8-18)21-3/h4-6,12-14,16H,7-8H2,1-3H3,(H,17,19)
InChIKeyJONKOQJQBWRILF-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds4

About 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 103534541) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID103534541
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CC(OC)C(OC)C3)ccc21
InChIInChI=1S/C15H21N3O3/c1-16-14-10-5-4-9(6-11(10)17-15(14)19)18-7-12(20-2)13(8-18)21-3/h4-6,12-14,16H,7-8H2,1-3H3,(H,17,19)
InChIKeyJONKOQJQBWRILF-UHFFFAOYSA-N
XLogP0.75
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one
CID 66394059
6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586866
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63597041
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 62936578
6-(3,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 64745755
3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 61420962
6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 114341297
6-tert-butylsulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586884
6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369681
6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369687

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 103534541) is 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CC(OC)C(OC)C3)ccc21.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is JONKOQJQBWRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14-10-5-4-9(6-11(10)17-15(14)19)18-7-12(20-2)13(8-18)21-3/h4-6,12-14,16H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 103534541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).