9-ethenylpyrido[1,2-a]pyrimidin-4-one

C10H8N2O — CID 135245055

IUPAC9-ethenylpyrido[1,2-a]pyrimidin-4-one
SMILESC=Cc1cccn2c(=O)ccnc12
InChIInChI=1S/C10H8N2O/c1-2-8-4-3-7-12-9(13)5-6-11-10(8)12/h2-7H,1H2
InChIKeyWZRLXMIXIHYYKV-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.34
Rot. Bonds1

About 9-ethenylpyrido[1,2-a]pyrimidin-4-one

9-ethenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135245055) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 9-ethenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-ethenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135245055
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name9-ethenylpyrido[1,2-a]pyrimidin-4-one
SMILESC=Cc1cccn2c(=O)ccnc12
InChIInChI=1S/C10H8N2O/c1-2-8-4-3-7-12-9(13)5-6-11-10(8)12/h2-7H,1H2
InChIKeyWZRLXMIXIHYYKV-UHFFFAOYSA-N
XLogP1.34
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-ethenylpyrido[1,2-a]pyrimidin-4-one (CID 135245055) is 9-ethenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-ethenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-ethenylpyrido[1,2-a]pyrimidin-4-one is C=Cc1cccn2c(=O)ccnc12.
What is the InChIKey of 9-ethenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WZRLXMIXIHYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-8-4-3-7-12-9(13)5-6-11-10(8)12/h2-7H,1H2.
What are the key properties of 9-ethenylpyrido[1,2-a]pyrimidin-4-one?
9-ethenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 172.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135245055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).