2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one

C8H14N2O — CID 593007

IUPAC2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
SMILESO=C1NCCC2CCCCN12
InChIInChI=1S/C8H14N2O/c11-8-9-5-4-7-3-1-2-6-10(7)8/h7H,1-6H2,(H,9,11)
InChIKeyTUMQGNRCPDVINJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds

About 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one

2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one (PubChem CID 593007) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
PubChem CID593007
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
SMILESO=C1NCCC2CCCCN12
InChIInChI=1S/C8H14N2O/c11-8-9-5-4-7-3-1-2-6-10(7)8/h7H,1-6H2,(H,9,11)
InChIKeyTUMQGNRCPDVINJ-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one (CID 593007) is 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one is O=C1NCCC2CCCCN12.
What is the InChIKey of 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
The InChIKey is TUMQGNRCPDVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-9-5-4-7-3-1-2-6-10(7)8/h7H,1-6H2,(H,9,11).
What are the key properties of 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 593007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).