1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole

C16H24N2 — CID 58386589

IUPAC1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
SMILESCN1CC(CCCN2CCCC2)c2ccccc21
InChIInChI=1S/C16H24N2/c1-17-13-14(15-8-2-3-9-16(15)17)7-6-12-18-10-4-5-11-18/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyRIPQOJAKJLKTAA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.10
Rot. Bonds4

About 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole

1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole (PubChem CID 58386589) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
PubChem CID58386589
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
SMILESCN1CC(CCCN2CCCC2)c2ccccc21
InChIInChI=1S/C16H24N2/c1-17-13-14(15-8-2-3-9-16(15)17)7-6-12-18-10-4-5-11-18/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyRIPQOJAKJLKTAA-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
The IUPAC name of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole (CID 58386589) is 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole is CN1CC(CCCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
The InChIKey is RIPQOJAKJLKTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-13-14(15-8-2-3-9-16(15)17)7-6-12-18-10-4-5-11-18/h2-3,8-9,14H,4-7,10-13H2,1H3.
What are the key properties of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole has a molecular weight of 244.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole is sourced from PubChem (CID 58386589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).