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

C11H19NO — CID 164679980

IUPAC1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol
SMILESCC1=C(C(C)O)C2CCCCC2N1
InChIInChI=1S/C11H19NO/c1-7-11(8(2)13)9-5-3-4-6-10(9)12-7/h8-10,12-13H,3-6H2,1-2H3
InChIKeyQJJUMFFZLNCPIV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.80
Rot. Bonds1

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

1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol (PubChem CID 164679980) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol
PubChem CID164679980
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol
SMILESCC1=C(C(C)O)C2CCCCC2N1
InChIInChI=1S/C11H19NO/c1-7-11(8(2)13)9-5-3-4-6-10(9)12-7/h8-10,12-13H,3-6H2,1-2H3
InChIKeyQJJUMFFZLNCPIV-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol (CID 164679980) is 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol is CC1=C(C(C)O)C2CCCCC2N1.
What is the InChIKey of 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol?
The InChIKey is QJJUMFFZLNCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-11(8(2)13)9-5-3-4-6-10(9)12-7/h8-10,12-13H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol?
1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 164679980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).