3-(2-pyrrolidin-1-ylethyl)-3aH-indole

C14H18N2 — CID 152743242

IUPAC3-(2-pyrrolidin-1-ylethyl)-3aH-indole
SMILESC1=CC2=NC=C(CCN3CCCC3)C2C=C1
InChIInChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,13H,3-4,7-10H2
InChIKeyJIDFDGCDILJZNG-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.55
Rot. Bonds3

About 3-(2-pyrrolidin-1-ylethyl)-3aH-indole

3-(2-pyrrolidin-1-ylethyl)-3aH-indole (PubChem CID 152743242) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-3aH-indole.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-3aH-indole
PubChem CID152743242
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-3aH-indole
SMILESC1=CC2=NC=C(CCN3CCCC3)C2C=C1
InChIInChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,13H,3-4,7-10H2
InChIKeyJIDFDGCDILJZNG-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-3aH-indole?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-3aH-indole (CID 152743242) is 3-(2-pyrrolidin-1-ylethyl)-3aH-indole.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-3aH-indole?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-3aH-indole is C1=CC2=NC=C(CCN3CCCC3)C2C=C1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-3aH-indole?
The InChIKey is JIDFDGCDILJZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,13H,3-4,7-10H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-3aH-indole?
3-(2-pyrrolidin-1-ylethyl)-3aH-indole has a molecular weight of 214.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-3aH-indole is sourced from PubChem (CID 152743242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).