3-(3-benzylpyrrolidin-3-yl)-1H-indole

C19H20N2 — CID 44589201

IUPAC3-(3-benzylpyrrolidin-3-yl)-1H-indole
SMILESc1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1
InChIInChI=1S/C19H20N2/c1-2-6-15(7-3-1)12-19(10-11-20-14-19)17-13-21-18-9-5-4-8-16(17)18/h1-9,13,20-21H,10-12,14H2
InChIKeyDUCJOVLKXCHFKO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.64
Rot. Bonds3

About 3-(3-benzylpyrrolidin-3-yl)-1H-indole

3-(3-benzylpyrrolidin-3-yl)-1H-indole (PubChem CID 44589201) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-benzylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(3-benzylpyrrolidin-3-yl)-1H-indole
PubChem CID44589201
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-(3-benzylpyrrolidin-3-yl)-1H-indole
SMILESc1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1
InChIInChI=1S/C19H20N2/c1-2-6-15(7-3-1)12-19(10-11-20-14-19)17-13-21-18-9-5-4-8-16(17)18/h1-9,13,20-21H,10-12,14H2
InChIKeyDUCJOVLKXCHFKO-UHFFFAOYSA-N
XLogP3.64
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylpyrrolidin-3-yl)-1H-indole?
The IUPAC name of 3-(3-benzylpyrrolidin-3-yl)-1H-indole (CID 44589201) is 3-(3-benzylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 3-(3-benzylpyrrolidin-3-yl)-1H-indole?
The canonical SMILES for 3-(3-benzylpyrrolidin-3-yl)-1H-indole is c1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1.
What is the InChIKey of 3-(3-benzylpyrrolidin-3-yl)-1H-indole?
The InChIKey is DUCJOVLKXCHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-6-15(7-3-1)12-19(10-11-20-14-19)17-13-21-18-9-5-4-8-16(17)18/h1-9,13,20-21H,10-12,14H2.
What are the key properties of 3-(3-benzylpyrrolidin-3-yl)-1H-indole?
3-(3-benzylpyrrolidin-3-yl)-1H-indole has a molecular weight of 276.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylpyrrolidin-3-yl)-1H-indole is sourced from PubChem (CID 44589201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).