6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile

C15H15N3 — CID 143184572

IUPAC6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile
SMILESCCn1cc(C#N)c2ccc(N3C=CCC3)cc21
InChIInChI=1S/C15H15N3/c1-2-17-11-12(10-16)14-6-5-13(9-15(14)17)18-7-3-4-8-18/h3,5-7,9,11H,2,4,8H2,1H3
InChIKeySSKSNEKGTASBSB-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.26
Rot. Bonds2

About 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile

6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile (PubChem CID 143184572) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile
PubChem CID143184572
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile
SMILESCCn1cc(C#N)c2ccc(N3C=CCC3)cc21
InChIInChI=1S/C15H15N3/c1-2-17-11-12(10-16)14-6-5-13(9-15(14)17)18-7-3-4-8-18/h3,5-7,9,11H,2,4,8H2,1H3
InChIKeySSKSNEKGTASBSB-UHFFFAOYSA-N
XLogP3.26
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile?
The IUPAC name of 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile (CID 143184572) is 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile.
What is the SMILES notation for 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile?
The canonical SMILES for 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile is CCn1cc(C#N)c2ccc(N3C=CCC3)cc21.
What is the InChIKey of 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile?
The InChIKey is SSKSNEKGTASBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-17-11-12(10-16)14-6-5-13(9-15(14)17)18-7-3-4-8-18/h3,5-7,9,11H,2,4,8H2,1H3.
What are the key properties of 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile?
6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydropyrrol-1-yl)-1-ethylindole-3-carbonitrile is sourced from PubChem (CID 143184572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).