pyrazolidin-1-yl nitrite

C3H7N3O2 — CID 174949880

IUPACpyrazolidin-1-yl nitrite
SMILESO=NON1CCCN1
InChIInChI=1S/C3H7N3O2/c7-5-8-6-3-1-2-4-6/h4H,1-3H2
InChIKeyKHKRAWWBPYKMMD-UHFFFAOYSA-N
MW117.11 g/mol
LogP-0.19
Rot. Bonds2

About pyrazolidin-1-yl nitrite

pyrazolidin-1-yl nitrite (PubChem CID 174949880) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is pyrazolidin-1-yl nitrite.

Molecular Properties

Compound Namepyrazolidin-1-yl nitrite
PubChem CID174949880
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Namepyrazolidin-1-yl nitrite
SMILESO=NON1CCCN1
InChIInChI=1S/C3H7N3O2/c7-5-8-6-3-1-2-4-6/h4H,1-3H2
InChIKeyKHKRAWWBPYKMMD-UHFFFAOYSA-N
XLogP-0.19
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazolidin-1-yl nitrite?
The IUPAC name of pyrazolidin-1-yl nitrite (CID 174949880) is pyrazolidin-1-yl nitrite.
What is the SMILES notation for pyrazolidin-1-yl nitrite?
The canonical SMILES for pyrazolidin-1-yl nitrite is O=NON1CCCN1.
What is the InChIKey of pyrazolidin-1-yl nitrite?
The InChIKey is KHKRAWWBPYKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c7-5-8-6-3-1-2-4-6/h4H,1-3H2.
What are the key properties of pyrazolidin-1-yl nitrite?
pyrazolidin-1-yl nitrite has a molecular weight of 117.11 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidin-1-yl nitrite is sourced from PubChem (CID 174949880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).