6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one

C18H21NO3 — CID 57298604

IUPAC6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESC=CCC(=O)C(C)CN1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H21NO3/c1-4-8-16(20)13(2)11-19-12-22-14(3)17(18(19)21)15-9-6-5-7-10-15/h4-7,9-10,13H,1,8,11-12H2,2-3H3
InChIKeyFQKAGVUZYLRPOY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.02
Rot. Bonds6

About 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one

6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 57298604) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID57298604
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESC=CCC(=O)C(C)CN1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H21NO3/c1-4-8-16(20)13(2)11-19-12-22-14(3)17(18(19)21)15-9-6-5-7-10-15/h4-7,9-10,13H,1,8,11-12H2,2-3H3
InChIKeyFQKAGVUZYLRPOY-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one (CID 57298604) is 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one is C=CCC(=O)C(C)CN1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is FQKAGVUZYLRPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-8-16(20)13(2)11-19-12-22-14(3)17(18(19)21)15-9-6-5-7-10-15/h4-7,9-10,13H,1,8,11-12H2,2-3H3.
What are the key properties of 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one?
6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 299.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 57298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).