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

C9H17NO — CID 593112

IUPAC2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol
SMILESOC12CCCCC1NCCC2
InChIInChI=1S/C9H17NO/c11-9-5-2-1-4-8(9)10-7-3-6-9/h8,10-11H,1-7H2
InChIKeyUJPTWNCBQMZLAQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.04
Rot. Bonds

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

2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol (PubChem CID 593112) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol.

Molecular Properties

Compound Name2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol
PubChem CID593112
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol
SMILESOC12CCCCC1NCCC2
InChIInChI=1S/C9H17NO/c11-9-5-2-1-4-8(9)10-7-3-6-9/h8,10-11H,1-7H2
InChIKeyUJPTWNCBQMZLAQ-UHFFFAOYSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol?
The IUPAC name of 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol (CID 593112) is 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol.
What is the SMILES notation for 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol?
The canonical SMILES for 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol is OC12CCCCC1NCCC2.
What is the InChIKey of 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol?
The InChIKey is UJPTWNCBQMZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-5-2-1-4-8(9)10-7-3-6-9/h8,10-11H,1-7H2.
What are the key properties of 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol?
2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol has a molecular weight of 155.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol is sourced from PubChem (CID 593112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).