3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H14N2O — CID 71415697

IUPAC3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC=Cc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H14N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h3H,1,4-7H2,2H3
InChIKeyUPHZNIPFWOLSGX-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.53
Rot. Bonds1

About 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 71415697) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID71415697
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC=Cc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H14N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h3H,1,4-7H2,2H3
InChIKeyUPHZNIPFWOLSGX-UHFFFAOYSA-N
XLogP1.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 71415697) is 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is C=Cc1c(C)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UPHZNIPFWOLSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h3H,1,4-7H2,2H3.
What are the key properties of 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 190.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71415697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).