2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

C9H17NO — CID 558277

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
SMILESOC1CCC2CCCCN2C1
InChIInChI=1S/C9H17NO/c11-9-5-4-8-3-1-2-6-10(8)7-9/h8-9,11H,1-7H2
InChIKeyOATOEMHDYHGUKN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.00
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol (PubChem CID 558277) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
PubChem CID558277
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
SMILESOC1CCC2CCCCN2C1
InChIInChI=1S/C9H17NO/c11-9-5-4-8-3-1-2-6-10(8)7-9/h8-9,11H,1-7H2
InChIKeyOATOEMHDYHGUKN-UHFFFAOYSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol (CID 558277) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol is OC1CCC2CCCCN2C1.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
The InChIKey is OATOEMHDYHGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-5-4-8-3-1-2-6-10(8)7-9/h8-9,11H,1-7H2.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol is sourced from PubChem (CID 558277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).