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

C10H14N2O3 — CID 16748543

IUPAC1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)5-7-8(13)11(3)10(15)12(4)9(7)14/h5-6H,1-4H3
InChIKeyKMKKNAHTKKZZFM-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.62
Rot. Bonds1

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

1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 16748543) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione
PubChem CID16748543
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)5-7-8(13)11(3)10(15)12(4)9(7)14/h5-6H,1-4H3
InChIKeyKMKKNAHTKKZZFM-UHFFFAOYSA-N
XLogP0.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-(2-methylpropylidene)-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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione (CID 16748543) is 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione is CC(C)C=C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is KMKKNAHTKKZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)5-7-8(13)11(3)10(15)12(4)9(7)14/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 210.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 16748543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).