5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione

C8H8N2O4 — CID 172749747

IUPAC5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=C=COCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O4/c11-2-4-14-3-1-6-5-9-8(13)10-7(6)12/h4-5H,1,3H2,(H2,9,10,12,13)
InChIKeyKFAOBGCCSYEQQL-UHFFFAOYSA-N
MW196.16 g/mol
LogP-1.03
Rot. Bonds4

About 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione

5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 172749747) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID172749747
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=C=COCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O4/c11-2-4-14-3-1-6-5-9-8(13)10-7(6)12/h4-5H,1,3H2,(H2,9,10,12,13)
InChIKeyKFAOBGCCSYEQQL-UHFFFAOYSA-N
XLogP-1.03
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione (CID 172749747) is 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione is O=C=COCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KFAOBGCCSYEQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-2-4-14-3-1-6-5-9-8(13)10-7(6)12/h4-5H,1,3H2,(H2,9,10,12,13).
What are the key properties of 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione?
5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 196.16 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-oxoethenoxy)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172749747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).