2-ethyl-1-hydroxyindole

C10H11NO — CID 22747467

IUPAC2-ethyl-1-hydroxyindole
SMILESCCc1cc2ccccc2n1O
InChIInChI=1S/C10H11NO/c1-2-9-7-8-5-3-4-6-10(8)11(9)12/h3-7,12H,2H2,1H3
InChIKeyCWZPMGWAOGENRT-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.44
Rot. Bonds1

About 2-ethyl-1-hydroxyindole

2-ethyl-1-hydroxyindole (PubChem CID 22747467) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-ethyl-1-hydroxyindole.

Molecular Properties

Compound Name2-ethyl-1-hydroxyindole
PubChem CID22747467
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-ethyl-1-hydroxyindole
SMILESCCc1cc2ccccc2n1O
InChIInChI=1S/C10H11NO/c1-2-9-7-8-5-3-4-6-10(8)11(9)12/h3-7,12H,2H2,1H3
InChIKeyCWZPMGWAOGENRT-UHFFFAOYSA-N
XLogP2.44
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hydroxyindole?
The IUPAC name of 2-ethyl-1-hydroxyindole (CID 22747467) is 2-ethyl-1-hydroxyindole.
What is the SMILES notation for 2-ethyl-1-hydroxyindole?
The canonical SMILES for 2-ethyl-1-hydroxyindole is CCc1cc2ccccc2n1O.
What is the InChIKey of 2-ethyl-1-hydroxyindole?
The InChIKey is CWZPMGWAOGENRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9-7-8-5-3-4-6-10(8)11(9)12/h3-7,12H,2H2,1H3.
What are the key properties of 2-ethyl-1-hydroxyindole?
2-ethyl-1-hydroxyindole has a molecular weight of 161.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxyindole is sourced from PubChem (CID 22747467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).