1-buta-1,3-dien-2-yl-3-ethylpyrrolidine

C10H17N — CID 138528698

IUPAC1-buta-1,3-dien-2-yl-3-ethylpyrrolidine
SMILESC=CC(=C)N1CCC(CC)C1
InChIInChI=1S/C10H17N/c1-4-9(3)11-7-6-10(5-2)8-11/h4,10H,1,3,5-8H2,2H3
InChIKeyLUTGGCAELGDKEF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.42
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine

1-buta-1,3-dien-2-yl-3-ethylpyrrolidine (PubChem CID 138528698) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-3-ethylpyrrolidine
PubChem CID138528698
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-buta-1,3-dien-2-yl-3-ethylpyrrolidine
SMILESC=CC(=C)N1CCC(CC)C1
InChIInChI=1S/C10H17N/c1-4-9(3)11-7-6-10(5-2)8-11/h4,10H,1,3,5-8H2,2H3
InChIKeyLUTGGCAELGDKEF-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine?
The IUPAC name of 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine (CID 138528698) is 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine is C=CC(=C)N1CCC(CC)C1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine?
The InChIKey is LUTGGCAELGDKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9(3)11-7-6-10(5-2)8-11/h4,10H,1,3,5-8H2,2H3.
What are the key properties of 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine?
1-buta-1,3-dien-2-yl-3-ethylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-3-ethylpyrrolidine is sourced from PubChem (CID 138528698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).