1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole

C11H17N3 — CID 114722129

IUPAC1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
SMILESC=CC(C)n1cncc1C1CCNC1
InChIInChI=1S/C11H17N3/c1-3-9(2)14-8-13-7-11(14)10-4-5-12-6-10/h3,7-10,12H,1,4-6H2,2H3
InChIKeyPFNYLOAFKDFLAD-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.71
Rot. Bonds3

About 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole

1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole (PubChem CID 114722129) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
PubChem CID114722129
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
SMILESC=CC(C)n1cncc1C1CCNC1
InChIInChI=1S/C11H17N3/c1-3-9(2)14-8-13-7-11(14)10-4-5-12-6-10/h3,7-10,12H,1,4-6H2,2H3
InChIKeyPFNYLOAFKDFLAD-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114717627
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
CID 114705815
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole (CID 114722129) is 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole is C=CC(C)n1cncc1C1CCNC1.
What is the InChIKey of 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole?
The InChIKey is PFNYLOAFKDFLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-9(2)14-8-13-7-11(14)10-4-5-12-6-10/h3,7-10,12H,1,4-6H2,2H3.
What are the key properties of 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole?
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole has a molecular weight of 191.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114722129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).