5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)

C19H20N2 — CID 44230732

IUPAC5-(3-benzylpyrrolidin-3-yl)-1H-indole
SMILESC1CNCC1(CC2=CC=CC=C2)C3=CC4=C(C=C3)NC=C4
InChIInChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2
InChIKeyUZKWACFLBGIUSH-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.80
Rot. Bonds3

About 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)

5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix) (PubChem CID 44230732) has the molecular formula C19H20N2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-(3-benzylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
PubChem CID44230732
Molecular FormulaC19H20N2
Molecular Weight276.40 g/mol
Exact Mass276.16
IUPAC Name5-(3-benzylpyrrolidin-3-yl)-1H-indole
SMILESC1CNCC1(CC2=CC=CC=C2)C3=CC4=C(C=C3)NC=C4
InChIInChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2
InChIKeyUZKWACFLBGIUSH-UHFFFAOYSA-N
XLogP3.80
TPSA27.80 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity349

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Almotriptan
CID 123606
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Beta-Carboline
CID 64961
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Eletriptan
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Methyltryptamine
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3,3'-Diindolylmethane
CID 3071

Frequently Asked Questions

What is the IUPAC name of 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)?
The IUPAC name of 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix) (CID 44230732) is 5-(3-benzylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)?
The canonical SMILES for 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix) is C1CNCC1(CC2=CC=CC=C2)C3=CC4=C(C=C3)NC=C4.
What is the InChIKey of 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)?
The InChIKey is UZKWACFLBGIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2.
What are the key properties of 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)?
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix) has a molecular weight of 276.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix) is sourced from PubChem (CID 44230732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).