1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol

C10H17NO — CID 70511146

IUPAC1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
SMILESCN1CCCC2CC(O)CC=C21
InChIInChI=1S/C10H17NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h5,8-9,12H,2-4,6-7H2,1H3
InChIKeyQYXLGXXZDSEBHG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.37
Rot. Bonds

About 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol

1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol (PubChem CID 70511146) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
PubChem CID70511146
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
SMILESCN1CCCC2CC(O)CC=C21
InChIInChI=1S/C10H17NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h5,8-9,12H,2-4,6-7H2,1H3
InChIKeyQYXLGXXZDSEBHG-UHFFFAOYSA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The IUPAC name of 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol (CID 70511146) is 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol.
What is the SMILES notation for 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The canonical SMILES for 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol is CN1CCCC2CC(O)CC=C21.
What is the InChIKey of 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
The InChIKey is QYXLGXXZDSEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h5,8-9,12H,2-4,6-7H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol?
1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol has a molecular weight of 167.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol is sourced from PubChem (CID 70511146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).