1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C15H20N2O3 — CID 102371754

IUPAC1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(=C)C(=C)C)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-7-8-15(9-11(4)10(2)3)12(18)16(5)14(20)17(6)13(15)19/h7H,1-2,4,8-9H2,3,5-6H3
InChIKeyIEBFPCLHHGHILR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.12
Rot. Bonds5

About 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 102371754) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID102371754
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(=C)C(=C)C)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-7-8-15(9-11(4)10(2)3)12(18)16(5)14(20)17(6)13(15)19/h7H,1-2,4,8-9H2,3,5-6H3
InChIKeyIEBFPCLHHGHILR-UHFFFAOYSA-N
XLogP2.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.12
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 102371754) is 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(CC(=C)C(=C)C)C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IEBFPCLHHGHILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-7-8-15(9-11(4)10(2)3)12(18)16(5)14(20)17(6)13(15)19/h7H,1-2,4,8-9H2,3,5-6H3.
What are the key properties of 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 276.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methyl-2-methylidenebut-3-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102371754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).