1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole

C12H19N3 — CID 106194342

IUPAC1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
SMILESCC(C)=CCn1cncc1C1CCNC1
InChIInChI=1S/C12H19N3/c1-10(2)4-6-15-9-14-8-12(15)11-3-5-13-7-11/h4,8-9,11,13H,3,5-7H2,1-2H3
InChIKeySYAJWSJFRGHZEP-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.93
Rot. Bonds3

About 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole

1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 106194342) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
PubChem CID106194342
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
SMILESCC(C)=CCn1cncc1C1CCNC1
InChIInChI=1S/C12H19N3/c1-10(2)4-6-15-9-14-8-12(15)11-3-5-13-7-11/h4,8-9,11,13H,3,5-7H2,1-2H3
InChIKeySYAJWSJFRGHZEP-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.93
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-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
CID 114117594
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
1-ethyl-4-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]piperidine
CID 114719115
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole (CID 106194342) is 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole is CC(C)=CCn1cncc1C1CCNC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is SYAJWSJFRGHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)4-6-15-9-14-8-12(15)11-3-5-13-7-11/h4,8-9,11,13H,3,5-7H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole?
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 205.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 106194342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).