3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C10H8N2O2 — CID 59256604

IUPAC3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC=Cc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C10H8N2O2/c1-2-7-6-11-9-8(13)4-3-5-12(9)10(7)14/h2-6,13H,1H2
InChIKeyWYBBYFGFRKHQAY-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.04
Rot. Bonds1

About 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 59256604) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID59256604
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC=Cc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C10H8N2O2/c1-2-7-6-11-9-8(13)4-3-5-12(9)10(7)14/h2-6,13H,1H2
InChIKeyWYBBYFGFRKHQAY-UHFFFAOYSA-N
XLogP1.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 59256604) is 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one is C=Cc1cnc2c(O)cccn2c1=O.
What is the InChIKey of 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WYBBYFGFRKHQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-2-7-6-11-9-8(13)4-3-5-12(9)10(7)14/h2-6,13H,1H2.
What are the key properties of 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 188.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59256604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).