2-ethyl-5-hydroxy-1H-indole-3-carbonitrile

C11H10N2O — CID 84660591

IUPAC2-ethyl-5-hydroxy-1H-indole-3-carbonitrile
SMILESCCc1[nH]c2ccc(O)cc2c1C#N
InChIInChI=1S/C11H10N2O/c1-2-10-9(6-12)8-5-7(14)3-4-11(8)13-10/h3-5,13-14H,2H2,1H3
InChIKeyJSNCFWROQMXURZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.31
Rot. Bonds1

About 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile

2-ethyl-5-hydroxy-1H-indole-3-carbonitrile (PubChem CID 84660591) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-hydroxy-1H-indole-3-carbonitrile
PubChem CID84660591
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-ethyl-5-hydroxy-1H-indole-3-carbonitrile
SMILESCCc1[nH]c2ccc(O)cc2c1C#N
InChIInChI=1S/C11H10N2O/c1-2-10-9(6-12)8-5-7(14)3-4-11(8)13-10/h3-5,13-14H,2H2,1H3
InChIKeyJSNCFWROQMXURZ-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile?
The IUPAC name of 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile (CID 84660591) is 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile?
The canonical SMILES for 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile is CCc1[nH]c2ccc(O)cc2c1C#N.
What is the InChIKey of 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile?
The InChIKey is JSNCFWROQMXURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-10-9(6-12)8-5-7(14)3-4-11(8)13-10/h3-5,13-14H,2H2,1H3.
What are the key properties of 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile?
2-ethyl-5-hydroxy-1H-indole-3-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hydroxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 84660591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).