1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

C15H25N3O — CID 110198078

IUPAC1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H25N3O/c1-5-15(19)17-7-6-13(10-17)8-14-16-9-12(4)18(14)11(2)3/h9,11,13H,5-8,10H2,1-4H3
InChIKeyWAGGYSYLBZRHON-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds4

About 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110198078) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110198078
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H25N3O/c1-5-15(19)17-7-6-13(10-17)8-14-16-9-12(4)18(14)11(2)3/h9,11,13H,5-8,10H2,1-4H3
InChIKeyWAGGYSYLBZRHON-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 188401
1-[4-(4-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065549
1-[4-(2,4-Dimethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065552
5-Methyl-1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065555
N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 15065560
1-[5-(5-Methylimidazol-1-yl)pent-3-yn-2-yl]pyrrolidin-2-one
CID 15065585
1-[4-(3,5-Dimethylimidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one iodide
CID 15065587
1-(3,7-Dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440495
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440546
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 110198078) is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2ncc(C)n2C(C)C)C1.
What is the InChIKey of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is WAGGYSYLBZRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-15(19)17-7-6-13(10-17)8-14-16-9-12(4)18(14)11(2)3/h9,11,13H,5-8,10H2,1-4H3.
What are the key properties of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110198078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).