2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride

C10H17ClN2O4 — CID 21275446

IUPAC2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride
SMILESCON1C(=O)CC2(CC[N+](C)([O-])CC2)C1=O.Cl
InChIInChI=1S/C10H16N2O4.ClH/c1-12(15)5-3-10(4-6-12)7-8(13)11(16-2)9(10)14;/h3-7H2,1-2H3;1H
InChIKeyCXDREEZXMOXWCC-UHFFFAOYSA-N
MW264.71 g/mol
LogP0.45
Rot. Bonds1

About 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride

2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride (PubChem CID 21275446) has the molecular formula C10H17ClN2O4 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride
PubChem CID21275446
Molecular FormulaC10H17ClN2O4
Molecular Weight264.71 g/mol
Exact Mass264.09
IUPAC Name2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride
SMILESCON1C(=O)CC2(CC[N+](C)([O-])CC2)C1=O.Cl
InChIInChI=1S/C10H16N2O4.ClH/c1-12(15)5-3-10(4-6-12)7-8(13)11(16-2)9(10)14;/h3-7H2,1-2H3;1H
InChIKeyCXDREEZXMOXWCC-UHFFFAOYSA-N
XLogP0.45
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride 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-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride?
The IUPAC name of 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride (CID 21275446) is 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride.
What is the SMILES notation for 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride?
The canonical SMILES for 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride is CON1C(=O)CC2(CC[N+](C)([O-])CC2)C1=O.Cl.
What is the InChIKey of 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride?
The InChIKey is CXDREEZXMOXWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.ClH/c1-12(15)5-3-10(4-6-12)7-8(13)11(16-2)9(10)14;/h3-7H2,1-2H3;1H.
What are the key properties of 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride?
2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride has a molecular weight of 264.71 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methyl-8-oxido-2-aza-8-azoniaspiro[4.5]decane-1,3-dione;hydrochloride is sourced from PubChem (CID 21275446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).