5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole

C14H17FN2 — CID 68757208

IUPAC5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole
SMILESFC1=CCC2=NC=C(CCN3CCCC3)C2=C1
InChIInChI=1S/C14H17FN2/c15-12-3-4-14-13(9-12)11(10-16-14)5-8-17-6-1-2-7-17/h3,9-10H,1-2,4-8H2
InChIKeyJPDIBFGASKCRSU-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.99
Rot. Bonds3

About 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole

5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole (PubChem CID 68757208) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole.

Molecular Properties

Compound Name5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole
PubChem CID68757208
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole
SMILESFC1=CCC2=NC=C(CCN3CCCC3)C2=C1
InChIInChI=1S/C14H17FN2/c15-12-3-4-14-13(9-12)11(10-16-14)5-8-17-6-1-2-7-17/h3,9-10H,1-2,4-8H2
InChIKeyJPDIBFGASKCRSU-UHFFFAOYSA-N
XLogP2.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole?
The IUPAC name of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole (CID 68757208) is 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole.
What is the SMILES notation for 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole?
The canonical SMILES for 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole is FC1=CCC2=NC=C(CCN3CCCC3)C2=C1.
What is the InChIKey of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole?
The InChIKey is JPDIBFGASKCRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-12-3-4-14-13(9-12)11(10-16-14)5-8-17-6-1-2-7-17/h3,9-10H,1-2,4-8H2.
What are the key properties of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole?
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole has a molecular weight of 232.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole is sourced from PubChem (CID 68757208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).