4-(oxomethylidene)-1H-pyrimidin-2-one

C5H4N2O2 — CID 23446950

IUPAC4-(oxomethylidene)-1H-pyrimidin-2-one
SMILESO=C=C1C=CNC(=O)N1
InChIInChI=1S/C5H4N2O2/c8-3-4-1-2-6-5(9)7-4/h1-2H,(H2,6,7,9)
InChIKeyUJZFEBZJUCPXID-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.47
Rot. Bonds

About 4-(oxomethylidene)-1H-pyrimidin-2-one

4-(oxomethylidene)-1H-pyrimidin-2-one (PubChem CID 23446950) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 4-(oxomethylidene)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(oxomethylidene)-1H-pyrimidin-2-one
PubChem CID23446950
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name4-(oxomethylidene)-1H-pyrimidin-2-one
SMILESO=C=C1C=CNC(=O)N1
InChIInChI=1S/C5H4N2O2/c8-3-4-1-2-6-5(9)7-4/h1-2H,(H2,6,7,9)
InChIKeyUJZFEBZJUCPXID-UHFFFAOYSA-N
XLogP-0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(oxomethylidene)-1H-pyrimidin-2-one?
The IUPAC name of 4-(oxomethylidene)-1H-pyrimidin-2-one (CID 23446950) is 4-(oxomethylidene)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(oxomethylidene)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(oxomethylidene)-1H-pyrimidin-2-one is O=C=C1C=CNC(=O)N1.
What is the InChIKey of 4-(oxomethylidene)-1H-pyrimidin-2-one?
The InChIKey is UJZFEBZJUCPXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-3-4-1-2-6-5(9)7-4/h1-2H,(H2,6,7,9).
What are the key properties of 4-(oxomethylidene)-1H-pyrimidin-2-one?
4-(oxomethylidene)-1H-pyrimidin-2-one has a molecular weight of 124.10 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxomethylidene)-1H-pyrimidin-2-one is sourced from PubChem (CID 23446950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).