1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione

C9H12N2O4 — CID 74684234

IUPAC1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
SMILESCCC(=O)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H12N2O4/c1-4-5(12)6-7(13)10(2)9(15)11(3)8(6)14/h6H,4H2,1-3H3
InChIKeyCJNYEUYZWARXCF-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.37
Rot. Bonds2

About 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione (PubChem CID 74684234) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
PubChem CID74684234
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
SMILESCCC(=O)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H12N2O4/c1-4-5(12)6-7(13)10(2)9(15)11(3)8(6)14/h6H,4H2,1-3H3
InChIKeyCJNYEUYZWARXCF-UHFFFAOYSA-N
XLogP-0.37
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.37
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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Related Compounds

1,3-dimethyl-5-(4-methylpentanoyl)-1,3-diazinane-2,4,6-trione
CID 149320751
3-butanoyl-1-methylazetidine-2,4-dione
CID 159141567
5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 139085875
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23875
5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 13319083
5-ethenyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 59723669
1-hydroxy-3-propanoylpyrrolidine-2,5-dione
CID 18938729
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
CID 23422721
N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134138570
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]butanoate
CID 7001265

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione (CID 74684234) is 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione is CCC(=O)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CJNYEUYZWARXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-5(12)6-7(13)10(2)9(15)11(3)8(6)14/h6H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.20 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 74684234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).