3-but-3-enyl-6-hydroxypyrimidin-4-one

C8H10N2O2 — CID 135848470

IUPAC3-but-3-enyl-6-hydroxypyrimidin-4-one
SMILESC=CCCn1cnc(O)cc1=O
InChIInChI=1S/C8H10N2O2/c1-2-3-4-10-6-9-7(11)5-8(10)12/h2,5-6,11H,1,3-4H2
InChIKeyNLURVVAOQARVSC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.52
Rot. Bonds3

About 3-but-3-enyl-6-hydroxypyrimidin-4-one

3-but-3-enyl-6-hydroxypyrimidin-4-one (PubChem CID 135848470) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-but-3-enyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name3-but-3-enyl-6-hydroxypyrimidin-4-one
PubChem CID135848470
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-but-3-enyl-6-hydroxypyrimidin-4-one
SMILESC=CCCn1cnc(O)cc1=O
InChIInChI=1S/C8H10N2O2/c1-2-3-4-10-6-9-7(11)5-8(10)12/h2,5-6,11H,1,3-4H2
InChIKeyNLURVVAOQARVSC-UHFFFAOYSA-N
XLogP0.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 3-but-3-enyl-6-hydroxypyrimidin-4-one (CID 135848470) is 3-but-3-enyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 3-but-3-enyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 3-but-3-enyl-6-hydroxypyrimidin-4-one is C=CCCn1cnc(O)cc1=O.
What is the InChIKey of 3-but-3-enyl-6-hydroxypyrimidin-4-one?
The InChIKey is NLURVVAOQARVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-3-4-10-6-9-7(11)5-8(10)12/h2,5-6,11H,1,3-4H2.
What are the key properties of 3-but-3-enyl-6-hydroxypyrimidin-4-one?
3-but-3-enyl-6-hydroxypyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135848470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).