3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one

C9H10N2O — CID 91244179

IUPAC3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1CNC2=CC=CCN2C1=O
InChIInChI=1S/C9H10N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-4,10H,1,5-6H2
InChIKeyQSBUQYSEVXLOLN-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.39
Rot. Bonds

About 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one

3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 91244179) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID91244179
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1CNC2=CC=CCN2C1=O
InChIInChI=1S/C9H10N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-4,10H,1,5-6H2
InChIKeyQSBUQYSEVXLOLN-UHFFFAOYSA-N
XLogP0.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,9a-Dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 351417
3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
CID 53447377
8-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
CID 12536119
3-Methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 23558224
2,3-Dihydro-1H-pyrido[1,2-a]pyrimidin-4(9aH)-one
CID 54218141
2-oxo-N-(2H-pyridin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 69760472
1,2,3,6-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70042605
(5E)-2-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,3-diazinan-4-one
CID 88530264
5-But-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
CID 123410516
1,3-Diazabicyclo[3.3.1]nona-5,7-diene-2,4-dione
CID 140399143
1,3,4,6-Tetrahydropyrido[1,2-a]pyrimidin-2-one
CID 141008936
2-Methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 141088034

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one (CID 91244179) is 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one is C=C1CNC2=CC=CCN2C1=O.
What is the InChIKey of 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QSBUQYSEVXLOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-4,10H,1,5-6H2.
What are the key properties of 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one?
3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91244179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).