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

C14H23N3O — CID 110198079

IUPAC1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C14H23N3O/c1-10(2)17-11(3)8-15-14(17)7-13-5-6-16(9-13)12(4)18/h8,10,13H,5-7,9H2,1-4H3
InChIKeyLMRLRECTJTXEEZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds3

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

1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110198079) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID110198079
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C14H23N3O/c1-10(2)17-11(3)8-15-14(17)7-13-5-6-16(9-13)12(4)18/h8,10,13H,5-7,9H2,1-4H3
InChIKeyLMRLRECTJTXEEZ-UHFFFAOYSA-N
XLogP2.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone (CID 110198079) is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone is CC(=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]ethanone?
The InChIKey is LMRLRECTJTXEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)17-11(3)8-15-14(17)7-13-5-6-16(9-13)12(4)18/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 249.36 g/mol, XLogP of 2.18, 3 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]ethanone is sourced from PubChem (CID 110198079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).