6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile

C16H15N3 — CID 143184999

IUPAC6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile
SMILESCCn1cc(C#N)c2ccc(N3C=CC4CC43)cc21
InChIInChI=1S/C16H15N3/c1-2-18-10-12(9-17)14-4-3-13(8-16(14)18)19-6-5-11-7-15(11)19/h3-6,8,10-11,15H,2,7H2,1H3
InChIKeyZAZKSSIHPUJLQW-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.26
Rot. Bonds2

About 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile

6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile (PubChem CID 143184999) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile.

Molecular Properties

Compound Name6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile
PubChem CID143184999
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile
SMILESCCn1cc(C#N)c2ccc(N3C=CC4CC43)cc21
InChIInChI=1S/C16H15N3/c1-2-18-10-12(9-17)14-4-3-13(8-16(14)18)19-6-5-11-7-15(11)19/h3-6,8,10-11,15H,2,7H2,1H3
InChIKeyZAZKSSIHPUJLQW-UHFFFAOYSA-N
XLogP3.26
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
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-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile?
The IUPAC name of 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile (CID 143184999) is 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile.
What is the SMILES notation for 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile?
The canonical SMILES for 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile is CCn1cc(C#N)c2ccc(N3C=CC4CC43)cc21.
What is the InChIKey of 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile?
The InChIKey is ZAZKSSIHPUJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-18-10-12(9-17)14-4-3-13(8-16(14)18)19-6-5-11-7-15(11)19/h3-6,8,10-11,15H,2,7H2,1H3.
What are the key properties of 6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile?
6-(2-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile has a molecular weight of 249.32 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-azabicyclo[3.1.0]hex-3-en-2-yl)-1-ethylindole-3-carbonitrile is sourced from PubChem (CID 143184999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).