1-oxidopyrazolidin-1-ium

C3H8N2O — CID 142663795

IUPAC1-oxidopyrazolidin-1-ium
SMILES[O-][NH+]1CCCN1
InChIInChI=1S/C3H8N2O/c6-5-3-1-2-4-5/h4-5H,1-3H2
InChIKeyATNOGKYHURQOEH-UHFFFAOYSA-N
MW88.11 g/mol
LogP-1.72
Rot. Bonds

About 1-oxidopyrazolidin-1-ium

1-oxidopyrazolidin-1-ium (PubChem CID 142663795) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 1-oxidopyrazolidin-1-ium.

Molecular Properties

Compound Name1-oxidopyrazolidin-1-ium
PubChem CID142663795
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name1-oxidopyrazolidin-1-ium
SMILES[O-][NH+]1CCCN1
InChIInChI=1S/C3H8N2O/c6-5-3-1-2-4-5/h4-5H,1-3H2
InChIKeyATNOGKYHURQOEH-UHFFFAOYSA-N
XLogP-1.72
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrazolidin-1-ium?
The IUPAC name of 1-oxidopyrazolidin-1-ium (CID 142663795) is 1-oxidopyrazolidin-1-ium.
What is the SMILES notation for 1-oxidopyrazolidin-1-ium?
The canonical SMILES for 1-oxidopyrazolidin-1-ium is [O-][NH+]1CCCN1.
What is the InChIKey of 1-oxidopyrazolidin-1-ium?
The InChIKey is ATNOGKYHURQOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c6-5-3-1-2-4-5/h4-5H,1-3H2.
What are the key properties of 1-oxidopyrazolidin-1-ium?
1-oxidopyrazolidin-1-ium has a molecular weight of 88.11 g/mol, XLogP of -1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrazolidin-1-ium is sourced from PubChem (CID 142663795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).