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

C10H17NO — CID 167227343

IUPAC1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol
SMILESCN1CCC=C2CCCC(O)C21
InChIInChI=1S/C10H17NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h5,9-10,12H,2-4,6-7H2,1H3
InChIKeyUROPBYDMTGAFGV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds

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

1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol (PubChem CID 167227343) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol.

Molecular Properties

Compound Name1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol
PubChem CID167227343
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol
SMILESCN1CCC=C2CCCC(O)C21
InChIInChI=1S/C10H17NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h5,9-10,12H,2-4,6-7H2,1H3
InChIKeyUROPBYDMTGAFGV-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol?
The IUPAC name of 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol (CID 167227343) is 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol.
What is the SMILES notation for 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol?
The canonical SMILES for 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol is CN1CCC=C2CCCC(O)C21.
What is the InChIKey of 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol?
The InChIKey is UROPBYDMTGAFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h5,9-10,12H,2-4,6-7H2,1H3.
What are the key properties of 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol?
1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-8-ol is sourced from PubChem (CID 167227343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).