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

C10H8N2O — CID 84654386

IUPAC2-hydroxy-2-(1H-indol-2-yl)acetonitrile
SMILESN#CC(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H8N2O/c11-6-10(13)9-5-7-3-1-2-4-8(7)12-9/h1-5,10,12-13H
InChIKeyPIIBZGMBXHJTRZ-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.72
Rot. Bonds1

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

2-hydroxy-2-(1H-indol-2-yl)acetonitrile (PubChem CID 84654386) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-hydroxy-2-(1H-indol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(1H-indol-2-yl)acetonitrile
PubChem CID84654386
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-hydroxy-2-(1H-indol-2-yl)acetonitrile
SMILESN#CC(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H8N2O/c11-6-10(13)9-5-7-3-1-2-4-8(7)12-9/h1-5,10,12-13H
InChIKeyPIIBZGMBXHJTRZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-2-yl)prop-2-yn-1-ol
CID 172559122
2-(1H-indol-2-yl)-3-methylbutanenitrile
CID 15013805
2-(1H-indol-2-yl)but-3-enenitrile
CID 69178229
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059
2-fluoro-1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 175731696
(1R)-3-amino-1-(1H-indol-2-yl)propan-1-ol
CID 96625080
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
1H-indol-2-yl-(3-methylphenyl)methanol
CID 102056377

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1H-indol-2-yl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(1H-indol-2-yl)acetonitrile (CID 84654386) is 2-hydroxy-2-(1H-indol-2-yl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(1H-indol-2-yl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(1H-indol-2-yl)acetonitrile is N#CC(O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-hydroxy-2-(1H-indol-2-yl)acetonitrile?
The InChIKey is PIIBZGMBXHJTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-6-10(13)9-5-7-3-1-2-4-8(7)12-9/h1-5,10,12-13H.
What are the key properties of 2-hydroxy-2-(1H-indol-2-yl)acetonitrile?
2-hydroxy-2-(1H-indol-2-yl)acetonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1H-indol-2-yl)acetonitrile is sourced from PubChem (CID 84654386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).