2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one

C8H12N2O — CID 58724332

IUPAC2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one
SMILESO=C1NCCC2CC=CCN12
InChIInChI=1S/C8H12N2O/c11-8-9-5-4-7-3-1-2-6-10(7)8/h1-2,7H,3-6H2,(H,9,11)
InChIKeyBDIMXXXNZTZVLA-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.73
Rot. Bonds

About 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one

2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one (PubChem CID 58724332) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one
PubChem CID58724332
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one
SMILESO=C1NCCC2CC=CCN12
InChIInChI=1S/C8H12N2O/c11-8-9-5-4-7-3-1-2-6-10(7)8/h1-2,7H,3-6H2,(H,9,11)
InChIKeyBDIMXXXNZTZVLA-UHFFFAOYSA-N
XLogP0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one (CID 58724332) is 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one is O=C1NCCC2CC=CCN12.
What is the InChIKey of 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one?
The InChIKey is BDIMXXXNZTZVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-9-5-4-7-3-1-2-6-10(7)8/h1-2,7H,3-6H2,(H,9,11).
What are the key properties of 2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one?
2,3,4,4a,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one has a molecular weight of 152.20 g/mol, XLogP of 0.73, 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,5,8-hexahydropyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 58724332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).