5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole

C11H17N3 — CID 21495232

IUPAC5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole
SMILESC=CCn1c(C)cnc1N1CCCC1
InChIInChI=1S/C11H17N3/c1-3-6-14-10(2)9-12-11(14)13-7-4-5-8-13/h3,9H,1,4-8H2,2H3
InChIKeyUGUXVHFNOGGYRL-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.98
Rot. Bonds3

About 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole

5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole (PubChem CID 21495232) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole.

Molecular Properties

Compound Name5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole
PubChem CID21495232
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole
SMILESC=CCn1c(C)cnc1N1CCCC1
InChIInChI=1S/C11H17N3/c1-3-6-14-10(2)9-12-11(14)13-7-4-5-8-13/h3,9H,1,4-8H2,2H3
InChIKeyUGUXVHFNOGGYRL-UHFFFAOYSA-N
XLogP1.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole?
The IUPAC name of 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole (CID 21495232) is 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole.
What is the SMILES notation for 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole?
The canonical SMILES for 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole is C=CCn1c(C)cnc1N1CCCC1.
What is the InChIKey of 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole?
The InChIKey is UGUXVHFNOGGYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-6-14-10(2)9-12-11(14)13-7-4-5-8-13/h3,9H,1,4-8H2,2H3.
What are the key properties of 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole?
5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole has a molecular weight of 191.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enyl-2-pyrrolidin-1-ylimidazole is sourced from PubChem (CID 21495232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).