4-methylidenepyrazolidine

C4H8N2 — CID 21133519

IUPAC4-methylidenepyrazolidine
SMILESC=C1CNNC1
InChIInChI=1S/C4H8N2/c1-4-2-5-6-3-4/h5-6H,1-3H2
InChIKeyBDZAXZBYHXWVIR-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.35
Rot. Bonds

About 4-methylidenepyrazolidine

4-methylidenepyrazolidine (PubChem CID 21133519) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 4-methylidenepyrazolidine.

Molecular Properties

Compound Name4-methylidenepyrazolidine
PubChem CID21133519
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name4-methylidenepyrazolidine
SMILESC=C1CNNC1
InChIInChI=1S/C4H8N2/c1-4-2-5-6-3-4/h5-6H,1-3H2
InChIKeyBDZAXZBYHXWVIR-UHFFFAOYSA-N
XLogP-0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenepyrazolidine?
The IUPAC name of 4-methylidenepyrazolidine (CID 21133519) is 4-methylidenepyrazolidine.
What is the SMILES notation for 4-methylidenepyrazolidine?
The canonical SMILES for 4-methylidenepyrazolidine is C=C1CNNC1.
What is the InChIKey of 4-methylidenepyrazolidine?
The InChIKey is BDZAXZBYHXWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-4-2-5-6-3-4/h5-6H,1-3H2.
What are the key properties of 4-methylidenepyrazolidine?
4-methylidenepyrazolidine has a molecular weight of 84.12 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepyrazolidine is sourced from PubChem (CID 21133519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).