1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C9H12N2O3 — CID 11063344

IUPAC1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H12N2O3/c1-4-5-6-7(12)10(2)9(14)11(3)8(6)13/h4,6H,1,5H2,2-3H3
InChIKeyXKKYHHDOECFOHN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.23
Rot. Bonds2

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

1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 11063344) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID11063344
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H12N2O3/c1-4-5-6-7(12)10(2)9(14)11(3)8(6)13/h4,6H,1,5H2,2-3H3
InChIKeyXKKYHHDOECFOHN-UHFFFAOYSA-N
XLogP0.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12880
1-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 13074
1,3,5-Tri(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
CID 3025641
2,4,6(1H,3H,5H)-Pyrimidinetrione, 3-methyl-1,5,5-tri(2-propenyl)-
CID 3065038
7,9-Dimethyl-7,9-diazaspiro[4.5]dec-2-ene-6,8,10-trione
CID 24778113
Barbituric acid, 5-allyl-5-isopropyl-1,3-dimethyl-
CID 606975
N,5-Diallylbarbituric acid
CID 3026948
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-
CID 565625
1,3-Diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 67258942
1,3-Dibutyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 67259135
2-Ethenyl-5,7-dimethyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 138966561
5-Fluoro-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 13585435

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 11063344) is 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XKKYHHDOECFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-5-6-7(12)10(2)9(14)11(3)8(6)13/h4,6H,1,5H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 196.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 11063344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).