1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione

C12H18N2O4 — CID 149320751

IUPAC1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CCC(=O)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C12H18N2O4/c1-7(2)5-6-8(15)9-10(16)13(3)12(18)14(4)11(9)17/h7,9H,5-6H2,1-4H3
InChIKeyYAKJRZQKFKSHQX-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.66
Rot. Bonds4

About 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione (PubChem CID 149320751) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione
PubChem CID149320751
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CCC(=O)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C12H18N2O4/c1-7(2)5-6-8(15)9-10(16)13(3)12(18)14(4)11(9)17/h7,9H,5-6H2,1-4H3
InChIKeyYAKJRZQKFKSHQX-UHFFFAOYSA-N
XLogP0.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione (CID 149320751) is 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione is CC(C)CCC(=O)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YAKJRZQKFKSHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(2)5-6-8(15)9-10(16)13(3)12(18)14(4)11(9)17/h7,9H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 254.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 149320751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).