6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one

C14H18N2O — CID 78205838

IUPAC6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one
SMILESC=CCC1C(=O)NC(c2ccccc2)NC1C
InChIInChI=1S/C14H18N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-10,12-13,15H,1,7H2,2H3,(H,16,17)
InChIKeyGPQNZOPFRIODPI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.99
Rot. Bonds3

About 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one

6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one (PubChem CID 78205838) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one
PubChem CID78205838
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one
SMILESC=CCC1C(=O)NC(c2ccccc2)NC1C
InChIInChI=1S/C14H18N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-10,12-13,15H,1,7H2,2H3,(H,16,17)
InChIKeyGPQNZOPFRIODPI-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one?
The IUPAC name of 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one (CID 78205838) is 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one?
The canonical SMILES for 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one is C=CCC1C(=O)NC(c2ccccc2)NC1C.
What is the InChIKey of 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one?
The InChIKey is GPQNZOPFRIODPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-10,12-13,15H,1,7H2,2H3,(H,16,17).
What are the key properties of 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one?
6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one has a molecular weight of 230.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one is sourced from PubChem (CID 78205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).