4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole

C10H17N3 — CID 130599099

IUPAC4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole
SMILESCCC1NCCC1c1cn(C)cn1
InChIInChI=1S/C10H17N3/c1-3-9-8(4-5-11-9)10-6-13(2)7-12-10/h6-9,11H,3-5H2,1-2H3
InChIKeyCIIIQRQJLSVFRY-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.28
Rot. Bonds2

About 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole

4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole (PubChem CID 130599099) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole
PubChem CID130599099
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole
SMILESCCC1NCCC1c1cn(C)cn1
InChIInChI=1S/C10H17N3/c1-3-9-8(4-5-11-9)10-6-13(2)7-12-10/h6-9,11H,3-5H2,1-2H3
InChIKeyCIIIQRQJLSVFRY-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole?
The IUPAC name of 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole (CID 130599099) is 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole.
What is the SMILES notation for 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole?
The canonical SMILES for 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole is CCC1NCCC1c1cn(C)cn1.
What is the InChIKey of 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole?
The InChIKey is CIIIQRQJLSVFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9-8(4-5-11-9)10-6-13(2)7-12-10/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole?
4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole has a molecular weight of 179.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole is sourced from PubChem (CID 130599099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).