(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C11H14N2O2 — CID 135818324

IUPAC(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)C(C)CC/C2=C\O
InChIInChI=1S/C11H14N2O2/c1-7-5-12-10-9(6-14)4-3-8(2)13(10)11(7)15/h5-6,8,14H,3-4H2,1-2H3/b9-6+
InChIKeyYMGURNGNSSZJEQ-RMKNXTFCSA-N
MW206.24 g/mol
LogP1.81
Rot. Bonds

About (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135818324) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID135818324
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)C(C)CC/C2=C\O
InChIInChI=1S/C11H14N2O2/c1-7-5-12-10-9(6-14)4-3-8(2)13(10)11(7)15/h5-6,8,14H,3-4H2,1-2H3/b9-6+
InChIKeyYMGURNGNSSZJEQ-RMKNXTFCSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.81
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

9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 137232310
methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 153275472
9-(hydroxymethylidene)-2-methyl-3-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 173470401
9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 177744835
(9E)-9-(ethoxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 12846416
(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
methyl (9Z)-9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 136315029
2-[(9Z)-9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]acetic acid
CID 136315030
(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

Frequently Asked Questions

What is the IUPAC name of (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 135818324) is (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is Cc1cnc2n(c1=O)C(C)CC/C2=C\O.
What is the InChIKey of (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YMGURNGNSSZJEQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-5-12-10-9(6-14)4-3-8(2)13(10)11(7)15/h5-6,8,14H,3-4H2,1-2H3/b9-6+.
What are the key properties of (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135818324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).