(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol

C10H19NO2 — CID 162808282

IUPAC(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol
SMILES[O-][N+]12CCCCC1C(CO)CCC2
InChIInChI=1S/C10H19NO2/c12-8-9-4-3-7-11(13)6-2-1-5-10(9)11/h9-10,12H,1-8H2
InChIKeyDPDAZDMDSXQXJW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.26
Rot. Bonds1

About (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol

(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol (PubChem CID 162808282) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol.

Molecular Properties

Compound Name(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol
PubChem CID162808282
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol
SMILES[O-][N+]12CCCCC1C(CO)CCC2
InChIInChI=1S/C10H19NO2/c12-8-9-4-3-7-11(13)6-2-1-5-10(9)11/h9-10,12H,1-8H2
InChIKeyDPDAZDMDSXQXJW-UHFFFAOYSA-N
XLogP1.26
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol?
The IUPAC name of (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol (CID 162808282) is (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol.
What is the SMILES notation for (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol?
The canonical SMILES for (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol is [O-][N+]12CCCCC1C(CO)CCC2.
What is the InChIKey of (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol?
The InChIKey is DPDAZDMDSXQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-8-9-4-3-7-11(13)6-2-1-5-10(9)11/h9-10,12H,1-8H2.
What are the key properties of (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol?
(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol has a molecular weight of 185.27 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol is sourced from PubChem (CID 162808282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).