1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione

C8H10N2O3 — CID 114619410

IUPAC1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=C(C)CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-5(2)4-10-7(12)3-6(11)9-8(10)13/h1,3-4H2,2H3,(H,9,11,13)
InChIKeyPAKTUHSOCWQKBG-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.03
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione

1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 114619410) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID114619410
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=C(C)CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-5(2)4-10-7(12)3-6(11)9-8(10)13/h1,3-4H2,2H3,(H,9,11,13)
InChIKeyPAKTUHSOCWQKBG-UHFFFAOYSA-N
XLogP0.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.03
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

1-(2,2-dimethylpropyl)-1,3-diazinane-2,4,6-trione
CID 112597813
octadecyl 2-(2,4,6-trioxo-1,3-diazinan-1-yl)acetate
CID 22737407
1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598007
1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione
CID 112597993
1-[2-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 6472394
1-[2-(4-methylcyclohexyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112598051
[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury;hydrate
CID 24840018
1-pent-4-ynyl-1,3-diazinane-2,4,6-trione
CID 130477557
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-[4-[methyl(propan-2-yl)amino]butyl]-1,3-diazinane-2,4,6-trione
CID 112597893
1-[(1-methylimidazol-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598004

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 114619410) is 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione is C=C(C)CN1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PAKTUHSOCWQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(2)4-10-7(12)3-6(11)9-8(10)13/h1,3-4H2,2H3,(H,9,11,13).
What are the key properties of 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione?
1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 182.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114619410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).