1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol

C10H19NO — CID 581136

IUPAC1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
SMILESCN1CCC(O)C2CCCCC21
InChIInChI=1S/C10H19NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h8-10,12H,2-7H2,1H3
InChIKeyZZXOJTQUPMRMRB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds

About 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol

1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol (PubChem CID 581136) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
PubChem CID581136
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
SMILESCN1CCC(O)C2CCCCC21
InChIInChI=1S/C10H19NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h8-10,12H,2-7H2,1H3
InChIKeyZZXOJTQUPMRMRB-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
The IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol (CID 581136) is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
The canonical SMILES for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol is CN1CCC(O)C2CCCCC21.
What is the InChIKey of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
The InChIKey is ZZXOJTQUPMRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 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,5,6,7,8,8a-octahydro-2H-quinolin-4-ol is sourced from PubChem (CID 581136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).