1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione

C11H15N3O3 — CID 161415433

IUPAC1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione
SMILESCCCN1CCC(n2ccc(=O)[nH]c2=O)C1=O
InChIInChI=1S/C11H15N3O3/c1-2-5-13-6-3-8(10(13)16)14-7-4-9(15)12-11(14)17/h4,7-8H,2-3,5-6H2,1H3,(H,12,15,17)
InChIKeyHBYMJMUVUNHTPK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.28
Rot. Bonds3

About 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione

1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione (PubChem CID 161415433) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione
PubChem CID161415433
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione
SMILESCCCN1CCC(n2ccc(=O)[nH]c2=O)C1=O
InChIInChI=1S/C11H15N3O3/c1-2-5-13-6-3-8(10(13)16)14-7-4-9(15)12-11(14)17/h4,7-8H,2-3,5-6H2,1H3,(H,12,15,17)
InChIKeyHBYMJMUVUNHTPK-UHFFFAOYSA-N
XLogP-0.28
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione (CID 161415433) is 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione is CCCN1CCC(n2ccc(=O)[nH]c2=O)C1=O.
What is the InChIKey of 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione?
The InChIKey is HBYMJMUVUNHTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-5-13-6-3-8(10(13)16)14-7-4-9(15)12-11(14)17/h4,7-8H,2-3,5-6H2,1H3,(H,12,15,17).
What are the key properties of 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione?
1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-propylpyrrolidin-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 161415433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).