1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione

C10H14N2O3 — CID 23616251

IUPAC1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione
SMILESC=CC(C(C)C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-4-7(6(2)3)12-9(14)5-8(13)11-10(12)15/h4,6-7H,1,5H2,2-3H3,(H,11,13,15)
InChIKeyMOHVBMKJLFYUGN-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.67
Rot. Bonds3

About 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione

1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 23616251) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione
PubChem CID23616251
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione
SMILESC=CC(C(C)C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-4-7(6(2)3)12-9(14)5-8(13)11-10(12)15/h4,6-7H,1,5H2,2-3H3,(H,11,13,15)
InChIKeyMOHVBMKJLFYUGN-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 112597783
1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione
CID 112598154
1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112597865
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 113387614
ethane;1-propan-2-ylpyrazolidine-3,5-dione
CID 142378494
2-(2,4,6-trioxo-1,3-diazinan-1-yl)pentanedioic acid
CID 144538559
1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 70627664
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914
1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 114619410
1-[1-(cyclohexen-1-yl)prop-2-enylsulfanyl]-1,3-diazinane-2,4,6-trione
CID 22743969
1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 130635522
1-(2,2-dimethylpropyl)-1,3-diazinane-2,4,6-trione
CID 112597813

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione (CID 23616251) is 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione is C=CC(C(C)C)N1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MOHVBMKJLFYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-7(6(2)3)12-9(14)5-8(13)11-10(12)15/h4,6-7H,1,5H2,2-3H3,(H,11,13,15).
What are the key properties of 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione?
1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 210.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23616251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).