5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole

C11H19N3 — CID 86820589

IUPAC5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole
SMILESCc1cnc(C2CCNC2)n1C(C)C
InChIInChI=1S/C11H19N3/c1-8(2)14-9(3)6-13-11(14)10-4-5-12-7-10/h6,8,10,12H,4-5,7H2,1-3H3
InChIKeyPCCLVCGROVWGLI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.85
Rot. Bonds2

About 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole

5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole (PubChem CID 86820589) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole
PubChem CID86820589
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole
SMILESCc1cnc(C2CCNC2)n1C(C)C
InChIInChI=1S/C11H19N3/c1-8(2)14-9(3)6-13-11(14)10-4-5-12-7-10/h6,8,10,12H,4-5,7H2,1-3H3
InChIKeyPCCLVCGROVWGLI-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole?
The IUPAC name of 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole (CID 86820589) is 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole is Cc1cnc(C2CCNC2)n1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole?
The InChIKey is PCCLVCGROVWGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)14-9(3)6-13-11(14)10-4-5-12-7-10/h6,8,10,12H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole?
5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole has a molecular weight of 193.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 86820589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).