2-(5-hydroxy-1H-indol-2-yl)acetonitrile

C10H8N2O — CID 84766177

IUPAC2-(5-hydroxy-1H-indol-2-yl)acetonitrile
SMILESN#CCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C10H8N2O/c11-4-3-8-5-7-6-9(13)1-2-10(7)12-8/h1-2,5-6,12-13H,3H2
InChIKeyGPWOGDDBRIWDFD-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.94
Rot. Bonds1

About 2-(5-hydroxy-1H-indol-2-yl)acetonitrile

2-(5-hydroxy-1H-indol-2-yl)acetonitrile (PubChem CID 84766177) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-2-yl)acetonitrile
PubChem CID84766177
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-(5-hydroxy-1H-indol-2-yl)acetonitrile
SMILESN#CCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C10H8N2O/c11-4-3-8-5-7-6-9(13)1-2-10(7)12-8/h1-2,5-6,12-13H,3H2
InChIKeyGPWOGDDBRIWDFD-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-2-yl)acetonitrile?
The IUPAC name of 2-(5-hydroxy-1H-indol-2-yl)acetonitrile (CID 84766177) is 2-(5-hydroxy-1H-indol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-hydroxy-1H-indol-2-yl)acetonitrile is N#CCc1cc2cc(O)ccc2[nH]1.
What is the InChIKey of 2-(5-hydroxy-1H-indol-2-yl)acetonitrile?
The InChIKey is GPWOGDDBRIWDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-4-3-8-5-7-6-9(13)1-2-10(7)12-8/h1-2,5-6,12-13H,3H2.
What are the key properties of 2-(5-hydroxy-1H-indol-2-yl)acetonitrile?
2-(5-hydroxy-1H-indol-2-yl)acetonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-2-yl)acetonitrile is sourced from PubChem (CID 84766177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).