2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol

C10H15NO — CID 70526787

IUPAC2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol
SMILESOCCN1CCC2CC=CC=C21
InChIInChI=1S/C10H15NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-2,4,9,12H,3,5-8H2
InChIKeyJFCYODMCSKQPJP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds2

About 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol

2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol (PubChem CID 70526787) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol
PubChem CID70526787
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol
SMILESOCCN1CCC2CC=CC=C21
InChIInChI=1S/C10H15NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-2,4,9,12H,3,5-8H2
InChIKeyJFCYODMCSKQPJP-UHFFFAOYSA-N
XLogP1.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol?
The IUPAC name of 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol (CID 70526787) is 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol is OCCN1CCC2CC=CC=C21.
What is the InChIKey of 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol?
The InChIKey is JFCYODMCSKQPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-2,4,9,12H,3,5-8H2.
What are the key properties of 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol?
2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4-tetrahydroindol-1-yl)ethanol is sourced from PubChem (CID 70526787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).