1-oxidopyrazolidine

C3H7N2O- — CID 87522687

IUPAC1-oxidopyrazolidine
SMILES[O-]N1CCCN1
InChIInChI=1S/C3H7N2O/c6-5-3-1-2-4-5/h4H,1-3H2/q-1
InChIKeyMPYUYPZUHUNTFJ-UHFFFAOYSA-N
MW87.10 g/mol
LogP-0.31
Rot. Bonds

About 1-oxidopyrazolidine

1-oxidopyrazolidine (PubChem CID 87522687) has the molecular formula C3H7N2O- and a molecular weight of 87.10 g/mol. Its IUPAC name is 1-oxidopyrazolidine.

Molecular Properties

Compound Name1-oxidopyrazolidine
PubChem CID87522687
Molecular FormulaC3H7N2O-
Molecular Weight87.10 g/mol
Exact Mass87.06
IUPAC Name1-oxidopyrazolidine
SMILES[O-]N1CCCN1
InChIInChI=1S/C3H7N2O/c6-5-3-1-2-4-5/h4H,1-3H2/q-1
InChIKeyMPYUYPZUHUNTFJ-UHFFFAOYSA-N
XLogP-0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrazolidine?
The IUPAC name of 1-oxidopyrazolidine (CID 87522687) is 1-oxidopyrazolidine.
What is the SMILES notation for 1-oxidopyrazolidine?
The canonical SMILES for 1-oxidopyrazolidine is [O-]N1CCCN1.
What is the InChIKey of 1-oxidopyrazolidine?
The InChIKey is MPYUYPZUHUNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O/c6-5-3-1-2-4-5/h4H,1-3H2/q-1.
What are the key properties of 1-oxidopyrazolidine?
1-oxidopyrazolidine has a molecular weight of 87.10 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrazolidine is sourced from PubChem (CID 87522687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).