1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine

C11H19N — CID 138507775

IUPAC1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine
SMILESC=C=CCN1CC(C)C(CC)C1
InChIInChI=1S/C11H19N/c1-4-6-7-12-8-10(3)11(5-2)9-12/h6,10-11H,1,5,7-9H2,2-3H3
InChIKeyFZTMAKCJZFDCIY-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.31
Rot. Bonds3

About 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine

1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine (PubChem CID 138507775) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine.

Molecular Properties

Compound Name1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine
PubChem CID138507775
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine
SMILESC=C=CCN1CC(C)C(CC)C1
InChIInChI=1S/C11H19N/c1-4-6-7-12-8-10(3)11(5-2)9-12/h6,10-11H,1,5,7-9H2,2-3H3
InChIKeyFZTMAKCJZFDCIY-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine?
The IUPAC name of 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine (CID 138507775) is 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine.
What is the SMILES notation for 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine?
The canonical SMILES for 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine is C=C=CCN1CC(C)C(CC)C1.
What is the InChIKey of 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine?
The InChIKey is FZTMAKCJZFDCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-7-12-8-10(3)11(5-2)9-12/h6,10-11H,1,5,7-9H2,2-3H3.
What are the key properties of 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine?
1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine is sourced from PubChem (CID 138507775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).