3-(2,4-dioxopyrimidin-1-yl)propyl propanoate

C10H14N2O4 — CID 169034415

IUPAC3-(2,4-dioxopyrimidin-1-yl)propyl propanoate
SMILESCCC(=O)OCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-9(14)16-7-3-5-12-6-4-8(13)11-10(12)15/h4,6H,2-3,5,7H2,1H3,(H,11,13,15)
InChIKeyQONGOASJCWWLSB-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.12
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate

3-(2,4-dioxopyrimidin-1-yl)propyl propanoate (PubChem CID 169034415) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)propyl propanoate
PubChem CID169034415
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)propyl propanoate
SMILESCCC(=O)OCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-9(14)16-7-3-5-12-6-4-8(13)11-10(12)15/h4,6H,2-3,5,7H2,1H3,(H,11,13,15)
InChIKeyQONGOASJCWWLSB-UHFFFAOYSA-N
XLogP-0.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate (CID 169034415) is 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate is CCC(=O)OCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate?
The InChIKey is QONGOASJCWWLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-9(14)16-7-3-5-12-6-4-8(13)11-10(12)15/h4,6H,2-3,5,7H2,1H3,(H,11,13,15).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate?
3-(2,4-dioxopyrimidin-1-yl)propyl propanoate has a molecular weight of 226.23 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)propyl propanoate is sourced from PubChem (CID 169034415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).