3-methyl-4-methylidenepyrazolidine

C5H10N2 — CID 58995820

IUPAC3-methyl-4-methylidenepyrazolidine
SMILESC=C1CNNC1C
InChIInChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h5-7H,1,3H2,2H3
InChIKeyWJHKQPLCSSUPLW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.04
Rot. Bonds

About 3-methyl-4-methylidenepyrazolidine

3-methyl-4-methylidenepyrazolidine (PubChem CID 58995820) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-methyl-4-methylidenepyrazolidine.

Molecular Properties

Compound Name3-methyl-4-methylidenepyrazolidine
PubChem CID58995820
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-methyl-4-methylidenepyrazolidine
SMILESC=C1CNNC1C
InChIInChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h5-7H,1,3H2,2H3
InChIKeyWJHKQPLCSSUPLW-UHFFFAOYSA-N
XLogP0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.04
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 3-methyl-4-methylidenepyrazolidine?
The IUPAC name of 3-methyl-4-methylidenepyrazolidine (CID 58995820) is 3-methyl-4-methylidenepyrazolidine.
What is the SMILES notation for 3-methyl-4-methylidenepyrazolidine?
The canonical SMILES for 3-methyl-4-methylidenepyrazolidine is C=C1CNNC1C.
What is the InChIKey of 3-methyl-4-methylidenepyrazolidine?
The InChIKey is WJHKQPLCSSUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h5-7H,1,3H2,2H3.
What are the key properties of 3-methyl-4-methylidenepyrazolidine?
3-methyl-4-methylidenepyrazolidine has a molecular weight of 98.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidenepyrazolidine is sourced from PubChem (CID 58995820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).