1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene

C11H20N2O2 — CID 71412307

IUPAC1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene
SMILESCC1=[N+]([O-])C2(CCCCC2)N(O)C1(C)C
InChIInChI=1S/C11H20N2O2/c1-9-10(2,3)13(15)11(12(9)14)7-5-4-6-8-11/h15H,4-8H2,1-3H3
InChIKeyAYIXOEVOHAFDRA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.10
Rot. Bonds

About 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene

1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene (PubChem CID 71412307) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene
PubChem CID71412307
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene
SMILESCC1=[N+]([O-])C2(CCCCC2)N(O)C1(C)C
InChIInChI=1S/C11H20N2O2/c1-9-10(2,3)13(15)11(12(9)14)7-5-4-6-8-11/h15H,4-8H2,1-3H3
InChIKeyAYIXOEVOHAFDRA-UHFFFAOYSA-N
XLogP2.10
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene?
The IUPAC name of 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene (CID 71412307) is 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene?
The canonical SMILES for 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene is CC1=[N+]([O-])C2(CCCCC2)N(O)C1(C)C.
What is the InChIKey of 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene?
The InChIKey is AYIXOEVOHAFDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-10(2,3)13(15)11(12(9)14)7-5-4-6-8-11/h15H,4-8H2,1-3H3.
What are the key properties of 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene?
1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene has a molecular weight of 212.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,3-trimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-ene is sourced from PubChem (CID 71412307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).