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

C10H19NO — CID 165477239

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol
SMILESOCCC1CCC2NCCC2C1
InChIInChI=1S/C10H19NO/c12-6-4-8-1-2-10-9(7-8)3-5-11-10/h8-12H,1-7H2
InChIKeyOIGIPERZNHOLGD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds2

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

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol (PubChem CID 165477239) 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-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol
PubChem CID165477239
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol
SMILESOCCC1CCC2NCCC2C1
InChIInChI=1S/C10H19NO/c12-6-4-8-1-2-10-9(7-8)3-5-11-10/h8-12H,1-7H2
InChIKeyOIGIPERZNHOLGD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-methylpiperidin-4-yl]ethanol
CID 89139578
2-[(3R)-3-cyclopentylcyclohexyl]ethanol
CID 163418407
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
2-[(1R,3S)-3-aminocyclopentyl]ethanol
CID 129385414
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylic acid
CID 83816131
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
ethane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrole
CID 168995443
[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 117272835
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol
CID 83915115
methyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylate;hydrochloride
CID 155971059
2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
CID 172701028
(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine
CID 95396663

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol (CID 165477239) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol is OCCC1CCC2NCCC2C1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol?
The InChIKey is OIGIPERZNHOLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-6-4-8-1-2-10-9(7-8)3-5-11-10/h8-12H,1-7H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-yl)ethanol?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-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-5-yl)ethanol is sourced from PubChem (CID 165477239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).