1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione

C14H16N2O3 — CID 164909792

IUPAC1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione
SMILESCC(C)C(=O)c1ccc(N2NC(=O)CCC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)14(19)10-3-5-11(6-4-10)16-13(18)8-7-12(17)15-16/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyZJFPWYWKNFZEHA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.68
Rot. Bonds3

About 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione

1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione (PubChem CID 164909792) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione.

Molecular Properties

Compound Name1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione
PubChem CID164909792
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione
SMILESCC(C)C(=O)c1ccc(N2NC(=O)CCC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)14(19)10-3-5-11(6-4-10)16-13(18)8-7-12(17)15-16/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyZJFPWYWKNFZEHA-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione?
The IUPAC name of 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione (CID 164909792) is 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione.
What is the SMILES notation for 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione?
The canonical SMILES for 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione is CC(C)C(=O)c1ccc(N2NC(=O)CCC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione?
The InChIKey is ZJFPWYWKNFZEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)14(19)10-3-5-11(6-4-10)16-13(18)8-7-12(17)15-16/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione?
1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione has a molecular weight of 260.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione is sourced from PubChem (CID 164909792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).