5-(3-butylpyrrolidin-3-yl)-1H-indole

C16H22N2 — CID 25224941

IUPAC5-(3-butylpyrrolidin-3-yl)-1H-indole
SMILESCCCCC1(c2ccc3[nH]ccc3c2)CCNC1
InChIInChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3
InChIKeyFIIZGBLPZZYXCS-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.59
Rot. Bonds4

About 5-(3-butylpyrrolidin-3-yl)-1H-indole

5-(3-butylpyrrolidin-3-yl)-1H-indole (PubChem CID 25224941) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-(3-butylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-(3-butylpyrrolidin-3-yl)-1H-indole
PubChem CID25224941
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-(3-butylpyrrolidin-3-yl)-1H-indole
SMILESCCCCC1(c2ccc3[nH]ccc3c2)CCNC1
InChIInChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3
InChIKeyFIIZGBLPZZYXCS-UHFFFAOYSA-N
XLogP3.59
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-butylpyrrolidin-3-yl)-1H-indole?
The IUPAC name of 5-(3-butylpyrrolidin-3-yl)-1H-indole (CID 25224941) is 5-(3-butylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 5-(3-butylpyrrolidin-3-yl)-1H-indole?
The canonical SMILES for 5-(3-butylpyrrolidin-3-yl)-1H-indole is CCCCC1(c2ccc3[nH]ccc3c2)CCNC1.
What is the InChIKey of 5-(3-butylpyrrolidin-3-yl)-1H-indole?
The InChIKey is FIIZGBLPZZYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3.
What are the key properties of 5-(3-butylpyrrolidin-3-yl)-1H-indole?
5-(3-butylpyrrolidin-3-yl)-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butylpyrrolidin-3-yl)-1H-indole is sourced from PubChem (CID 25224941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).