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

C15H22N2 — CID 82081939

IUPAC1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2CCCN1CCCC1
InChIInChI=1S/C15H22N2/c1-2-7-15-14(6-1)8-13-17(15)12-5-11-16-9-3-4-10-16/h1-2,6-7H,3-5,8-13H2
InChIKeyBWIPUKMWVYPMKS-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.54
Rot. Bonds4

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

1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole (PubChem CID 82081939) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
PubChem CID82081939
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2CCCN1CCCC1
InChIInChI=1S/C15H22N2/c1-2-7-15-14(6-1)8-13-17(15)12-5-11-16-9-3-4-10-16/h1-2,6-7H,3-5,8-13H2
InChIKeyBWIPUKMWVYPMKS-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-butyl-2,3-dihydroindole
CID 4167209
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
11-(5-pyrrolidin-1-ylpentyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 10131774
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole (CID 82081939) is 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole is c1ccc2c(c1)CCN2CCCN1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
The InChIKey is BWIPUKMWVYPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-7-15-14(6-1)8-13-17(15)12-5-11-16-9-3-4-10-16/h1-2,6-7H,3-5,8-13H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole?
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole has a molecular weight of 230.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole is sourced from PubChem (CID 82081939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).