1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate

C11H20ClNO4 — CID 134924052

IUPAC1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate
SMILESCC1CCC[N+]2=C1C(C)CCC2.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H20N.ClHO4/c1-9-5-3-7-12-8-4-6-10(2)11(9)12;2-1(3,4)5/h9-10H,3-8H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWYWZQSQUILPEIL-UHFFFAOYSA-M
MW265.74 g/mol
LogP-2.46
Rot. Bonds

About 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate

1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate (PubChem CID 134924052) has the molecular formula C11H20ClNO4 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate.

Molecular Properties

Compound Name1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate
PubChem CID134924052
Molecular FormulaC11H20ClNO4
Molecular Weight265.74 g/mol
Exact Mass265.11
IUPAC Name1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate
SMILESCC1CCC[N+]2=C1C(C)CCC2.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H20N.ClHO4/c1-9-5-3-7-12-8-4-6-10(2)11(9)12;2-1(3,4)5/h9-10H,3-8H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWYWZQSQUILPEIL-UHFFFAOYSA-M
XLogP-2.46
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2,3,5,6,7,8-hexahydro-1H-indolizin-4-ium
CID 12842033
1-chloro-6-methylcyclohexene
CID 565192
1,2-dichloro-3-methylcyclohexene
CID 149081304
cyclooctane;methylcyclobutane
CID 159456217
methylcyclopentane
CID 7296
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
3-methylazepan-2-one
CID 581216
3-methyl-azacycloundecan-2-one
CID 118421477
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
3-methylazonan-2-one
CID 59032742
(7R)-7-methylcyclohept-2-en-1-one
CID 13297857

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate?
The IUPAC name of 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate (CID 134924052) is 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate.
What is the SMILES notation for 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate?
The canonical SMILES for 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate is CC1CCC[N+]2=C1C(C)CCC2.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate?
The InChIKey is WYWZQSQUILPEIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20N.ClHO4/c1-9-5-3-7-12-8-4-6-10(2)11(9)12;2-1(3,4)5/h9-10H,3-8H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate?
1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate has a molecular weight of 265.74 g/mol, XLogP of -2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-1,2,3,4,6,7,8,9-octahydroquinolizin-5-ium perchlorate is sourced from PubChem (CID 134924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).