3-butan-2-ylidenepyrrolidine

C8H15N — CID 79876082

IUPAC3-butan-2-ylidenepyrrolidine
SMILESCCC(C)=C1CCNC1
InChIInChI=1S/C8H15N/c1-3-7(2)8-4-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyCKVBZUBBFZINGS-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds1

About 3-butan-2-ylidenepyrrolidine

3-butan-2-ylidenepyrrolidine (PubChem CID 79876082) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-butan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name3-butan-2-ylidenepyrrolidine
PubChem CID79876082
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-butan-2-ylidenepyrrolidine
SMILESCCC(C)=C1CCNC1
InChIInChI=1S/C8H15N/c1-3-7(2)8-4-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyCKVBZUBBFZINGS-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.71
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-butan-2-ylidenepyrrolidine?
The IUPAC name of 3-butan-2-ylidenepyrrolidine (CID 79876082) is 3-butan-2-ylidenepyrrolidine.
What is the SMILES notation for 3-butan-2-ylidenepyrrolidine?
The canonical SMILES for 3-butan-2-ylidenepyrrolidine is CCC(C)=C1CCNC1.
What is the InChIKey of 3-butan-2-ylidenepyrrolidine?
The InChIKey is CKVBZUBBFZINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7(2)8-4-5-9-6-8/h9H,3-6H2,1-2H3.
What are the key properties of 3-butan-2-ylidenepyrrolidine?
3-butan-2-ylidenepyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylidenepyrrolidine is sourced from PubChem (CID 79876082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).