1,1-dimethoxypyrazolidin-1-ium

C5H13N2O2+ — CID 163794414

IUPAC1,1-dimethoxypyrazolidin-1-ium
SMILESCO[N+]1(OC)CCCN1
InChIInChI=1S/C5H13N2O2/c1-8-7(9-2)5-3-4-6-7/h6H,3-5H2,1-2H3/q+1
InChIKeyYSUDISHCGQCBEB-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.17
Rot. Bonds2

About 1,1-dimethoxypyrazolidin-1-ium

1,1-dimethoxypyrazolidin-1-ium (PubChem CID 163794414) has the molecular formula C5H13N2O2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is 1,1-dimethoxypyrazolidin-1-ium.

Molecular Properties

Compound Name1,1-dimethoxypyrazolidin-1-ium
PubChem CID163794414
Molecular FormulaC5H13N2O2+
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Name1,1-dimethoxypyrazolidin-1-ium
SMILESCO[N+]1(OC)CCCN1
InChIInChI=1S/C5H13N2O2/c1-8-7(9-2)5-3-4-6-7/h6H,3-5H2,1-2H3/q+1
InChIKeyYSUDISHCGQCBEB-UHFFFAOYSA-N
XLogP-0.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dimethoxypyrazolidin-1-ium 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 1,1-dimethoxypyrazolidin-1-ium?
The IUPAC name of 1,1-dimethoxypyrazolidin-1-ium (CID 163794414) is 1,1-dimethoxypyrazolidin-1-ium.
What is the SMILES notation for 1,1-dimethoxypyrazolidin-1-ium?
The canonical SMILES for 1,1-dimethoxypyrazolidin-1-ium is CO[N+]1(OC)CCCN1.
What is the InChIKey of 1,1-dimethoxypyrazolidin-1-ium?
The InChIKey is YSUDISHCGQCBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O2/c1-8-7(9-2)5-3-4-6-7/h6H,3-5H2,1-2H3/q+1.
What are the key properties of 1,1-dimethoxypyrazolidin-1-ium?
1,1-dimethoxypyrazolidin-1-ium has a molecular weight of 133.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypyrazolidin-1-ium is sourced from PubChem (CID 163794414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).