1-methyl-3-methylidenepyrrolidine

C6H11N — CID 10772936

IUPAC1-methyl-3-methylidenepyrrolidine
SMILESC=C1CCN(C)C1
InChIInChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h1,3-5H2,2H3
InChIKeyDBATZJJHNTUZDQ-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.88
Rot. Bonds

About 1-methyl-3-methylidenepyrrolidine

1-methyl-3-methylidenepyrrolidine (PubChem CID 10772936) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-methyl-3-methylidenepyrrolidine.

Molecular Properties

Compound Name1-methyl-3-methylidenepyrrolidine
PubChem CID10772936
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-methyl-3-methylidenepyrrolidine
SMILESC=C1CCN(C)C1
InChIInChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h1,3-5H2,2H3
InChIKeyDBATZJJHNTUZDQ-UHFFFAOYSA-N
XLogP0.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
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 1-methyl-3-methylidenepyrrolidine?
The IUPAC name of 1-methyl-3-methylidenepyrrolidine (CID 10772936) is 1-methyl-3-methylidenepyrrolidine.
What is the SMILES notation for 1-methyl-3-methylidenepyrrolidine?
The canonical SMILES for 1-methyl-3-methylidenepyrrolidine is C=C1CCN(C)C1.
What is the InChIKey of 1-methyl-3-methylidenepyrrolidine?
The InChIKey is DBATZJJHNTUZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h1,3-5H2,2H3.
What are the key properties of 1-methyl-3-methylidenepyrrolidine?
1-methyl-3-methylidenepyrrolidine has a molecular weight of 97.16 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenepyrrolidine is sourced from PubChem (CID 10772936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).