1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol

C10H19NO — CID 535973

IUPAC1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol
SMILESCN1CCCC2(O)CCCCC12
InChIInChI=1S/C10H19NO/c1-11-8-4-7-10(12)6-3-2-5-9(10)11/h9,12H,2-8H2,1H3
InChIKeyGYQNKQBDFFPRQL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds

About 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol

1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol (PubChem CID 535973) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol.

Molecular Properties

Compound Name1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol
PubChem CID535973
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol
SMILESCN1CCCC2(O)CCCCC12
InChIInChI=1S/C10H19NO/c1-11-8-4-7-10(12)6-3-2-5-9(10)11/h9,12H,2-8H2,1H3
InChIKeyGYQNKQBDFFPRQL-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol?
The IUPAC name of 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol (CID 535973) is 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol.
What is the SMILES notation for 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol?
The canonical SMILES for 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol is CN1CCCC2(O)CCCCC12.
What is the InChIKey of 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol?
The InChIKey is GYQNKQBDFFPRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-8-4-7-10(12)6-3-2-5-9(10)11/h9,12H,2-8H2,1H3.
What are the key properties of 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol?
1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol has a molecular weight of 169.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-4a-ol is sourced from PubChem (CID 535973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).