1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one

C8H14N2O — CID 592977

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one
SMILESO=C1CCN2CCCCC2N1
InChIInChI=1S/C8H14N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h7H,1-6H2,(H,9,11)
InChIKeyJTFKEEIQINUFFR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.32
Rot. Bonds

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

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one (PubChem CID 592977) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one
PubChem CID592977
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one
SMILESO=C1CCN2CCCCC2N1
InChIInChI=1S/C8H14N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h7H,1-6H2,(H,9,11)
InChIKeyJTFKEEIQINUFFR-UHFFFAOYSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one (CID 592977) is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one is O=C1CCN2CCCCC2N1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one?
The InChIKey is JTFKEEIQINUFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h7H,1-6H2,(H,9,11).
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one?
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 592977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).