2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol

C10H15NO — CID 70526785

IUPAC2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol
SMILESOCCN1CCC2C=CC=CC21
InChIInChI=1S/C10H15NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-4,9-10,12H,5-8H2
InChIKeyFYMUESILWVZICF-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.80
Rot. Bonds2

About 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol

2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol (PubChem CID 70526785) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol
PubChem CID70526785
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol
SMILESOCCN1CCC2C=CC=CC21
InChIInChI=1S/C10H15NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-4,9-10,12H,5-8H2
InChIKeyFYMUESILWVZICF-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,3a,4-Tetrahydroindol-1-yl)ethanol
CID 70526787
2-(1,3,3a,4,5,7a-Hexahydroisoindol-2-yl)ethanol
CID 163478460
(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol
CID 175890314
2-[(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol
CID 42546102
2-(2-Azabicyclo[2.2.1]hept-5-EN-2-YL)ethanol
CID 44827666
(2R)-2-(1,3,3a,7a-tetrahydroisoindol-2-yl)butan-1-ol
CID 90469844
(2R)-2-[(3aR,7aS)-1,3,3a,7a-tetrahydroisoindol-2-yl]butan-1-ol
CID 97046845
(2R)-2-[(3aS,7aS)-1,3,3a,7a-tetrahydroisoindol-2-yl]butan-1-ol
CID 97046846
(2R)-2-[(3aR,7aR)-1,3,3a,7a-tetrahydroisoindol-2-yl]butan-1-ol
CID 97046847
2-[(1S,4S)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol
CID 98063258
2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol
CID 98158841
2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol
CID 101415661

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol?
The IUPAC name of 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol (CID 70526785) is 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol is OCCN1CCC2C=CC=CC21.
What is the InChIKey of 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol?
The InChIKey is FYMUESILWVZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-4,9-10,12H,5-8H2.
What are the key properties of 2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol?
2-(2,3,3a,7a-tetrahydroindol-1-yl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 0.80, 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,7a-tetrahydroindol-1-yl)ethanol is sourced from PubChem (CID 70526785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).