2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile

C10H8N2O2 — CID 11658413

IUPAC2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
SMILESN#CCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)
InChIKeyIXOBWMNTICTXOJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.74
Rot. Bonds1

About 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile

2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile (PubChem CID 11658413) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
PubChem CID11658413
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
SMILESN#CCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)
InChIKeyIXOBWMNTICTXOJ-UHFFFAOYSA-N
XLogP0.74
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile (CID 11658413) is 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile is N#CCC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile?
The InChIKey is IXOBWMNTICTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13).
What are the key properties of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile?
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile has a molecular weight of 188.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 11658413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).