2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone

C11H19N3O — CID 21079138

IUPAC2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCCN1C=CN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C11H19N3O/c1-2-12-7-8-13(10-12)9-11(15)14-5-3-4-6-14/h7-8H,2-6,9-10H2,1H3
InChIKeyHIBQXUIONOGZSV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.68
Rot. Bonds3

About 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone

2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 21079138) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID21079138
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCCN1C=CN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C11H19N3O/c1-2-12-7-8-13(10-12)9-11(15)14-5-3-4-6-14/h7-8H,2-6,9-10H2,1H3
InChIKeyHIBQXUIONOGZSV-UHFFFAOYSA-N
XLogP0.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 21079140
2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 22220796
3-(2,2-Dimethylpropyl)-1-ethenylimidazolidine-2,4-dione
CID 59110999
3-(3,3-Dimethylbutyl)-1-ethenylimidazolidine-2,4-dione
CID 59111009
N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 67523463
N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide
CID 67523464
1-Butyl-3-ethenylimidazolidin-2-one
CID 132498348
2-(3-methyl-2H-imidazol-1-yl)-1-piperidin-1-ylethanone
CID 137457509
1,3-Dimethylimidazolidin-2-one;1-ethenylpyrrolidin-2-one
CID 139434293
N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
CID 170189941
N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
CID 173078377
2-(1,2-Dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide
CID 173105047

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone (CID 21079138) is 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone is CCN1C=CN(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is HIBQXUIONOGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-12-7-8-13(10-12)9-11(15)14-5-3-4-6-14/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 209.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 21079138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).