(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C10H12N2O2 — CID 137258822

IUPAC(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC/C(=C\O)c2nccc(=O)n21
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-7,13H,2-3H2,1H3/b8-6+
InChIKeyURZHTRZHMHNTBT-SOFGYWHQSA-N
MW192.22 g/mol
LogP1.50
Rot. Bonds

About (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137258822) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID137258822
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC/C(=C\O)c2nccc(=O)n21
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-7,13H,2-3H2,1H3/b8-6+
InChIKeyURZHTRZHMHNTBT-SOFGYWHQSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875572
9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 137232310
9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 54446952
(9E)-9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 88749458
(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 135818324
(9Z)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 136302250
(9Z)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 136302348
(9Z)-9-(hydroxymethylidene)-N,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136315020
(9E)-9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 136316883
(9E)-9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 136316916
(9E)-9-(hydroxymethylidene)-6,8-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 136317034

Frequently Asked Questions

What is the IUPAC name of (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 137258822) is (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is CC1CC/C(=C\O)c2nccc(=O)n21.
What is the InChIKey of (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is URZHTRZHMHNTBT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-7,13H,2-3H2,1H3/b8-6+.
What are the key properties of (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137258822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).