2-(2H-indol-2-yl)acetonitrile

C10H8N2 — CID 70520484

IUPAC2-(2H-indol-2-yl)acetonitrile
SMILESN#CCC1C=c2ccccc2=N1
InChIInChI=1S/C10H8N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5H2
InChIKeyCKIPGVZKEWDDEC-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.38
Rot. Bonds1

About 2-(2H-indol-2-yl)acetonitrile

2-(2H-indol-2-yl)acetonitrile (PubChem CID 70520484) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(2H-indol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2H-indol-2-yl)acetonitrile
PubChem CID70520484
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2-(2H-indol-2-yl)acetonitrile
SMILESN#CCC1C=c2ccccc2=N1
InChIInChI=1S/C10H8N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5H2
InChIKeyCKIPGVZKEWDDEC-UHFFFAOYSA-N
XLogP0.38
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-indol-2-yl)acetonitrile?
The IUPAC name of 2-(2H-indol-2-yl)acetonitrile (CID 70520484) is 2-(2H-indol-2-yl)acetonitrile.
What is the SMILES notation for 2-(2H-indol-2-yl)acetonitrile?
The canonical SMILES for 2-(2H-indol-2-yl)acetonitrile is N#CCC1C=c2ccccc2=N1.
What is the InChIKey of 2-(2H-indol-2-yl)acetonitrile?
The InChIKey is CKIPGVZKEWDDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5H2.
What are the key properties of 2-(2H-indol-2-yl)acetonitrile?
2-(2H-indol-2-yl)acetonitrile has a molecular weight of 156.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indol-2-yl)acetonitrile is sourced from PubChem (CID 70520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).