3-methylidenepyrrolidine

C5H9N — CID 10510810

IUPAC3-methylidenepyrrolidine
SMILESC=C1CCNC1
InChIInChI=1S/C5H9N/c1-5-2-3-6-4-5/h6H,1-4H2
InChIKeyXGJYZAAIQYBIKF-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.54
Rot. Bonds

About 3-methylidenepyrrolidine

3-methylidenepyrrolidine (PubChem CID 10510810) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 3-methylidenepyrrolidine.

Molecular Properties

Compound Name3-methylidenepyrrolidine
PubChem CID10510810
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name3-methylidenepyrrolidine
SMILESC=C1CCNC1
InChIInChI=1S/C5H9N/c1-5-2-3-6-4-5/h6H,1-4H2
InChIKeyXGJYZAAIQYBIKF-UHFFFAOYSA-N
XLogP0.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylidenepyrrolidine?
The IUPAC name of 3-methylidenepyrrolidine (CID 10510810) is 3-methylidenepyrrolidine.
What is the SMILES notation for 3-methylidenepyrrolidine?
The canonical SMILES for 3-methylidenepyrrolidine is C=C1CCNC1.
What is the InChIKey of 3-methylidenepyrrolidine?
The InChIKey is XGJYZAAIQYBIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5-2-3-6-4-5/h6H,1-4H2.
What are the key properties of 3-methylidenepyrrolidine?
3-methylidenepyrrolidine has a molecular weight of 83.13 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepyrrolidine is sourced from PubChem (CID 10510810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).