2-hydroxyindole-2-carbonitrile

C9H6N2O — CID 151064416

IUPAC2-hydroxyindole-2-carbonitrile
SMILESN#CC1(O)C=c2ccccc2=N1
InChIInChI=1S/C9H6N2O/c10-6-9(12)5-7-3-1-2-4-8(7)11-9/h1-5,12H
InChIKeyMGVISCJEYFOFBO-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.69
Rot. Bonds

About 2-hydroxyindole-2-carbonitrile

2-hydroxyindole-2-carbonitrile (PubChem CID 151064416) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-hydroxyindole-2-carbonitrile.

Molecular Properties

Compound Name2-hydroxyindole-2-carbonitrile
PubChem CID151064416
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name2-hydroxyindole-2-carbonitrile
SMILESN#CC1(O)C=c2ccccc2=N1
InChIInChI=1S/C9H6N2O/c10-6-9(12)5-7-3-1-2-4-8(7)11-9/h1-5,12H
InChIKeyMGVISCJEYFOFBO-UHFFFAOYSA-N
XLogP-0.69
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyindole-2-carbonitrile?
The IUPAC name of 2-hydroxyindole-2-carbonitrile (CID 151064416) is 2-hydroxyindole-2-carbonitrile.
What is the SMILES notation for 2-hydroxyindole-2-carbonitrile?
The canonical SMILES for 2-hydroxyindole-2-carbonitrile is N#CC1(O)C=c2ccccc2=N1.
What is the InChIKey of 2-hydroxyindole-2-carbonitrile?
The InChIKey is MGVISCJEYFOFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c10-6-9(12)5-7-3-1-2-4-8(7)11-9/h1-5,12H.
What are the key properties of 2-hydroxyindole-2-carbonitrile?
2-hydroxyindole-2-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyindole-2-carbonitrile is sourced from PubChem (CID 151064416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).