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

C10H19NO — CID 129412678

IUPAC2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol
SMILESOCC[C@@H]1CN[C@H]2CCCC[C@@H]12
InChIInChI=1S/C10H19NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h8-12H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyKILFDSKBTPEGEE-UTLUCORTSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds2

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

2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol (PubChem CID 129412678) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol
PubChem CID129412678
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol
SMILESOCC[C@@H]1CN[C@H]2CCCC[C@@H]12
InChIInChI=1S/C10H19NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h8-12H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyKILFDSKBTPEGEE-UTLUCORTSA-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-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol with MolForge

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
CID 89010127
(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 178195066
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 83913910
3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 170906267
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide
CID 170906485
(3S,3aR,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 55287432
(3S,3aS,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 92844990
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
CID 163165908
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane
CID 59630499
4-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 171521770
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-2-[(2-aminoacetyl)amino]propanoic acid
CID 170906430
[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 117272835

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol (CID 129412678) is 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol is OCC[C@@H]1CN[C@H]2CCCC[C@@H]12.
What is the InChIKey of 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol?
The InChIKey is KILFDSKBTPEGEE-UTLUCORTSA-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/t8-,9+,10+/m1/s1.
What are the key properties of 2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol?
2-[(3S,3aS,7aS)-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-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol is sourced from PubChem (CID 129412678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).