2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol

C10H19NO — CID 89010127

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
SMILESOCCC1CNC2CCCCC12
InChIInChI=1S/C10H19NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h8-12H,1-7H2
InChIKeyKILFDSKBTPEGEE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds2

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol (PubChem CID 89010127) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
PubChem CID89010127
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
SMILESOCCC1CNC2CCCCC12
InChIInChI=1S/C10H19NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h8-12H,1-7H2
InChIKeyKILFDSKBTPEGEE-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol (CID 89010127) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol is OCCC1CNC2CCCCC12.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol?
The InChIKey is KILFDSKBTPEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h8-12H,1-7H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 89010127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).