3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one

C18H16N2O2 — CID 59654172

IUPAC3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=CC(O)c1nc2ccccn2c(=O)c1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-15(21)17-14(12-13-8-4-3-5-9-13)18(22)20-11-7-6-10-16(20)19-17/h2-11,15,21H,1,12H2
InChIKeyDJWCVMDOWZPXGB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.50
Rot. Bonds4

About 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one

3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 59654172) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID59654172
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=CC(O)c1nc2ccccn2c(=O)c1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-15(21)17-14(12-13-8-4-3-5-9-13)18(22)20-11-7-6-10-16(20)19-17/h2-11,15,21H,1,12H2
InChIKeyDJWCVMDOWZPXGB-UHFFFAOYSA-N
XLogP2.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one (CID 59654172) is 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one is C=CC(O)c1nc2ccccn2c(=O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DJWCVMDOWZPXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-15(21)17-14(12-13-8-4-3-5-9-13)18(22)20-11-7-6-10-16(20)19-17/h2-11,15,21H,1,12H2.
What are the key properties of 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one?
3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(1-hydroxyprop-2-enyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59654172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).