4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole

C18H20N2O — CID 167921071

IUPAC4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole
SMILESc1coc(-c2cccc3c2ccn3CCN2CCCC2)c1
InChIInChI=1S/C18H20N2O/c1-2-10-19(9-1)12-13-20-11-8-15-16(5-3-6-17(15)20)18-7-4-14-21-18/h3-8,11,14H,1-2,9-10,12-13H2
InChIKeyVCDCLXNAGGSRBE-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.00
Rot. Bonds4

About 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole

4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 167921071) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID167921071
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole
SMILESc1coc(-c2cccc3c2ccn3CCN2CCCC2)c1
InChIInChI=1S/C18H20N2O/c1-2-10-19(9-1)12-13-20-11-8-15-16(5-3-6-17(15)20)18-7-4-14-21-18/h3-8,11,14H,1-2,9-10,12-13H2
InChIKeyVCDCLXNAGGSRBE-UHFFFAOYSA-N
XLogP4.00
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole (CID 167921071) is 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole is c1coc(-c2cccc3c2ccn3CCN2CCCC2)c1.
What is the InChIKey of 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is VCDCLXNAGGSRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-10-19(9-1)12-13-20-11-8-15-16(5-3-6-17(15)20)18-7-4-14-21-18/h3-8,11,14H,1-2,9-10,12-13H2.
What are the key properties of 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole?
4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole has a molecular weight of 280.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 167921071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).