5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one

C11H17N3O — CID 104687081

IUPAC5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCC(C)n1cncc1CC1CCC(=O)N1
InChIInChI=1S/C11H17N3O/c1-8(2)14-7-12-6-10(14)5-9-3-4-11(15)13-9/h6-9H,3-5H2,1-2H3,(H,13,15)
InChIKeyKYKYFYJIGVKRKU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.29
Rot. Bonds3

About 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one

5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 104687081) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID104687081
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCC(C)n1cncc1CC1CCC(=O)N1
InChIInChI=1S/C11H17N3O/c1-8(2)14-7-12-6-10(14)5-9-3-4-11(15)13-9/h6-9H,3-5H2,1-2H3,(H,13,15)
InChIKeyKYKYFYJIGVKRKU-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one (CID 104687081) is 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one is CC(C)n1cncc1CC1CCC(=O)N1.
What is the InChIKey of 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is KYKYFYJIGVKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14-7-12-6-10(14)5-9-3-4-11(15)13-9/h6-9H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one?
5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).