1-pyrimidin-2-ylpyrrolidin-2-one

C8H9N3O — CID 1476268

IUPAC1-pyrimidin-2-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1ncccn1
InChIInChI=1S/C8H9N3O/c12-7-3-1-6-11(7)8-9-4-2-5-10-8/h2,4-5H,1,3,6H2
InChIKeyRAQVVHKXASXJAD-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.60
Rot. Bonds1

About 1-pyrimidin-2-ylpyrrolidin-2-one

1-pyrimidin-2-ylpyrrolidin-2-one (PubChem CID 1476268) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-pyrimidin-2-ylpyrrolidin-2-one
PubChem CID1476268
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-pyrimidin-2-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1ncccn1
InChIInChI=1S/C8H9N3O/c12-7-3-1-6-11(7)8-9-4-2-5-10-8/h2,4-5H,1,3,6H2
InChIKeyRAQVVHKXASXJAD-UHFFFAOYSA-N
XLogP0.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpyrrolidin-2-one?
The IUPAC name of 1-pyrimidin-2-ylpyrrolidin-2-one (CID 1476268) is 1-pyrimidin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-pyrimidin-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-pyrimidin-2-ylpyrrolidin-2-one is O=C1CCCN1c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-ylpyrrolidin-2-one?
The InChIKey is RAQVVHKXASXJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c12-7-3-1-6-11(7)8-9-4-2-5-10-8/h2,4-5H,1,3,6H2.
What are the key properties of 1-pyrimidin-2-ylpyrrolidin-2-one?
1-pyrimidin-2-ylpyrrolidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 1476268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).