3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile

C18H21N3 — CID 10333844

IUPAC3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCC(N4CCCC4)C3)c2c1
InChIInChI=1S/C18H21N3/c19-11-13-3-6-18-16(9-13)17(12-20-18)14-4-5-15(10-14)21-7-1-2-8-21/h3,6,9,12,14-15,20H,1-2,4-5,7-8,10H2
InChIKeyFLIFBFBIFGKWET-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.77
Rot. Bonds2

About 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile

3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile (PubChem CID 10333844) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
PubChem CID10333844
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCC(N4CCCC4)C3)c2c1
InChIInChI=1S/C18H21N3/c19-11-13-3-6-18-16(9-13)17(12-20-18)14-4-5-15(10-14)21-7-1-2-8-21/h3,6,9,12,14-15,20H,1-2,4-5,7-8,10H2
InChIKeyFLIFBFBIFGKWET-UHFFFAOYSA-N
XLogP3.77
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile (CID 10333844) is 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3CCC(N4CCCC4)C3)c2c1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile?
The InChIKey is FLIFBFBIFGKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c19-11-13-3-6-18-16(9-13)17(12-20-18)14-4-5-15(10-14)21-7-1-2-8-21/h3,6,9,12,14-15,20H,1-2,4-5,7-8,10H2.
What are the key properties of 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile?
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile has a molecular weight of 279.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 10333844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).