1-hydroxypyrazolidin-3-one

C3H6N2O2 — CID 21225213

IUPAC1-hydroxypyrazolidin-3-one
SMILESO=C1CCN(O)N1
InChIInChI=1S/C3H6N2O2/c6-3-1-2-5(7)4-3/h7H,1-2H2,(H,4,6)
InChIKeyPQFODJQQTMNOTG-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.89
Rot. Bonds

About 1-hydroxypyrazolidin-3-one

1-hydroxypyrazolidin-3-one (PubChem CID 21225213) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 1-hydroxypyrazolidin-3-one.

Molecular Properties

Compound Name1-hydroxypyrazolidin-3-one
PubChem CID21225213
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name1-hydroxypyrazolidin-3-one
SMILESO=C1CCN(O)N1
InChIInChI=1S/C3H6N2O2/c6-3-1-2-5(7)4-3/h7H,1-2H2,(H,4,6)
InChIKeyPQFODJQQTMNOTG-UHFFFAOYSA-N
XLogP-0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Oxypyrazolidin-3,5-dione
CID 67060826
1-Nitroso-3-pyrazolidinone
CID 3782045
1-Aminopyrazolidin-3-one
CID 19776273
2-Hydroxypyrazolidin-3-one
CID 20059216
1-Oxopyrazolidin-1-ium-3-one
CID 22417609
1-Hydroperoxypyrazolidine-3,5-dione
CID 22575048
(3-Oxopyrazolidin-1-yl) hydrogen carbonate
CID 57266690
(3-Oxopyrazolidin-1-yl) dihydrogen phosphate
CID 57270957
Actinium;pyrazolidin-1-id-3-one
CID 59977855
1-Oxidopyrazolidin-1-ium-3-one
CID 87660917
2-Aminopyrazolidin-3-one
CID 126580853
1-Iodopyrazolidin-3-one
CID 148212040

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrazolidin-3-one?
The IUPAC name of 1-hydroxypyrazolidin-3-one (CID 21225213) is 1-hydroxypyrazolidin-3-one.
What is the SMILES notation for 1-hydroxypyrazolidin-3-one?
The canonical SMILES for 1-hydroxypyrazolidin-3-one is O=C1CCN(O)N1.
What is the InChIKey of 1-hydroxypyrazolidin-3-one?
The InChIKey is PQFODJQQTMNOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c6-3-1-2-5(7)4-3/h7H,1-2H2,(H,4,6).
What are the key properties of 1-hydroxypyrazolidin-3-one?
1-hydroxypyrazolidin-3-one has a molecular weight of 102.09 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrazolidin-3-one is sourced from PubChem (CID 21225213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).