6-azoniaspiro[5.5]undecane;hydrogen carbonate

C11H21NO3 — CID 139510415

IUPAC6-azoniaspiro[5.5]undecane;hydrogen carbonate
SMILESC1CC[N+]2(CC1)CCCCC2.O=C([O-])O
InChIInChI=1S/C10H20N.CH2O3/c1-3-7-11(8-4-1)9-5-2-6-10-11;2-1(3)4/h1-10H2;(H2,2,3,4)/q+1;/p-1
InChIKeyDJMUGQFJZVOIRD-UHFFFAOYSA-M
MW215.29 g/mol
LogP1.06
Rot. Bonds

About 6-azoniaspiro[5.5]undecane;hydrogen carbonate

6-azoniaspiro[5.5]undecane;hydrogen carbonate (PubChem CID 139510415) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 6-azoniaspiro[5.5]undecane;hydrogen carbonate.

Molecular Properties

Compound Name6-azoniaspiro[5.5]undecane;hydrogen carbonate
PubChem CID139510415
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name6-azoniaspiro[5.5]undecane;hydrogen carbonate
SMILESC1CC[N+]2(CC1)CCCCC2.O=C([O-])O
InChIInChI=1S/C10H20N.CH2O3/c1-3-7-11(8-4-1)9-5-2-6-10-11;2-1(3)4/h1-10H2;(H2,2,3,4)/q+1;/p-1
InChIKeyDJMUGQFJZVOIRD-UHFFFAOYSA-M
XLogP1.06
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.06
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 6-azoniaspiro[5.5]undecane;hydrogen carbonate?
The IUPAC name of 6-azoniaspiro[5.5]undecane;hydrogen carbonate (CID 139510415) is 6-azoniaspiro[5.5]undecane;hydrogen carbonate.
What is the SMILES notation for 6-azoniaspiro[5.5]undecane;hydrogen carbonate?
The canonical SMILES for 6-azoniaspiro[5.5]undecane;hydrogen carbonate is C1CC[N+]2(CC1)CCCCC2.O=C([O-])O.
What is the InChIKey of 6-azoniaspiro[5.5]undecane;hydrogen carbonate?
The InChIKey is DJMUGQFJZVOIRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N.CH2O3/c1-3-7-11(8-4-1)9-5-2-6-10-11;2-1(3)4/h1-10H2;(H2,2,3,4)/q+1;/p-1.
What are the key properties of 6-azoniaspiro[5.5]undecane;hydrogen carbonate?
6-azoniaspiro[5.5]undecane;hydrogen carbonate has a molecular weight of 215.29 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azoniaspiro[5.5]undecane;hydrogen carbonate is sourced from PubChem (CID 139510415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).