1-hydroxy-2-oxidopyrazolidin-2-ium

C3H8N2O2 — CID 88528496

IUPAC1-hydroxy-2-oxidopyrazolidin-2-ium
SMILES[O-][NH+]1CCCN1O
InChIInChI=1S/C3H8N2O2/c6-4-2-1-3-5(4)7/h4,7H,1-3H2
InChIKeySLHRLRMMUKAELK-UHFFFAOYSA-N
MW104.11 g/mol
LogP-1.62
Rot. Bonds

About 1-hydroxy-2-oxidopyrazolidin-2-ium

1-hydroxy-2-oxidopyrazolidin-2-ium (PubChem CID 88528496) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1-hydroxy-2-oxidopyrazolidin-2-ium.

Molecular Properties

Compound Name1-hydroxy-2-oxidopyrazolidin-2-ium
PubChem CID88528496
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name1-hydroxy-2-oxidopyrazolidin-2-ium
SMILES[O-][NH+]1CCCN1O
InChIInChI=1S/C3H8N2O2/c6-4-2-1-3-5(4)7/h4,7H,1-3H2
InChIKeySLHRLRMMUKAELK-UHFFFAOYSA-N
XLogP-1.62
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-oxidopyrazolidin-2-ium?
The IUPAC name of 1-hydroxy-2-oxidopyrazolidin-2-ium (CID 88528496) is 1-hydroxy-2-oxidopyrazolidin-2-ium.
What is the SMILES notation for 1-hydroxy-2-oxidopyrazolidin-2-ium?
The canonical SMILES for 1-hydroxy-2-oxidopyrazolidin-2-ium is [O-][NH+]1CCCN1O.
What is the InChIKey of 1-hydroxy-2-oxidopyrazolidin-2-ium?
The InChIKey is SLHRLRMMUKAELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c6-4-2-1-3-5(4)7/h4,7H,1-3H2.
What are the key properties of 1-hydroxy-2-oxidopyrazolidin-2-ium?
1-hydroxy-2-oxidopyrazolidin-2-ium has a molecular weight of 104.11 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-oxidopyrazolidin-2-ium is sourced from PubChem (CID 88528496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).