1-imidazol-1-ylpyrrolidin-3-one

C7H9N3O — CID 138676499

IUPAC1-imidazol-1-ylpyrrolidin-3-one
SMILESO=C1CCN(n2ccnc2)C1
InChIInChI=1S/C7H9N3O/c11-7-1-3-9(5-7)10-4-2-8-6-10/h2,4,6H,1,3,5H2
InChIKeyOVSBRBVIQVJDQM-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.21
Rot. Bonds1

About 1-imidazol-1-ylpyrrolidin-3-one

1-imidazol-1-ylpyrrolidin-3-one (PubChem CID 138676499) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-imidazol-1-ylpyrrolidin-3-one.

Molecular Properties

Compound Name1-imidazol-1-ylpyrrolidin-3-one
PubChem CID138676499
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-imidazol-1-ylpyrrolidin-3-one
SMILESO=C1CCN(n2ccnc2)C1
InChIInChI=1S/C7H9N3O/c11-7-1-3-9(5-7)10-4-2-8-6-10/h2,4,6H,1,3,5H2
InChIKeyOVSBRBVIQVJDQM-UHFFFAOYSA-N
XLogP-0.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylpyrrolidin-3-one?
The IUPAC name of 1-imidazol-1-ylpyrrolidin-3-one (CID 138676499) is 1-imidazol-1-ylpyrrolidin-3-one.
What is the SMILES notation for 1-imidazol-1-ylpyrrolidin-3-one?
The canonical SMILES for 1-imidazol-1-ylpyrrolidin-3-one is O=C1CCN(n2ccnc2)C1.
What is the InChIKey of 1-imidazol-1-ylpyrrolidin-3-one?
The InChIKey is OVSBRBVIQVJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-1-3-9(5-7)10-4-2-8-6-10/h2,4,6H,1,3,5H2.
What are the key properties of 1-imidazol-1-ylpyrrolidin-3-one?
1-imidazol-1-ylpyrrolidin-3-one has a molecular weight of 151.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylpyrrolidin-3-one is sourced from PubChem (CID 138676499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).