3-cyclobutylidenepyrrolidine

C8H13N — CID 121209197

IUPAC3-cyclobutylidenepyrrolidine
SMILESC1CC(=C2CCNC2)C1
InChIInChI=1S/C8H13N/c1-2-7(3-1)8-4-5-9-6-8/h9H,1-6H2
InChIKeyLBSALVRIVILZID-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.46
Rot. Bonds

About 3-cyclobutylidenepyrrolidine

3-cyclobutylidenepyrrolidine (PubChem CID 121209197) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-cyclobutylidenepyrrolidine.

Molecular Properties

Compound Name3-cyclobutylidenepyrrolidine
PubChem CID121209197
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-cyclobutylidenepyrrolidine
SMILESC1CC(=C2CCNC2)C1
InChIInChI=1S/C8H13N/c1-2-7(3-1)8-4-5-9-6-8/h9H,1-6H2
InChIKeyLBSALVRIVILZID-UHFFFAOYSA-N
XLogP1.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.46
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-cyclobutylidenepyrrolidine?
The IUPAC name of 3-cyclobutylidenepyrrolidine (CID 121209197) is 3-cyclobutylidenepyrrolidine.
What is the SMILES notation for 3-cyclobutylidenepyrrolidine?
The canonical SMILES for 3-cyclobutylidenepyrrolidine is C1CC(=C2CCNC2)C1.
What is the InChIKey of 3-cyclobutylidenepyrrolidine?
The InChIKey is LBSALVRIVILZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7(3-1)8-4-5-9-6-8/h9H,1-6H2.
What are the key properties of 3-cyclobutylidenepyrrolidine?
3-cyclobutylidenepyrrolidine has a molecular weight of 123.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylidenepyrrolidine is sourced from PubChem (CID 121209197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).