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

C11H17N3O3 — CID 112600075

IUPAC5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1CCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1
InChIInChI=1S/C11H17N3O3/c1-11(2)8(15)12-10(17)14(9(11)16)7-4-5-13(3)6-7/h7H,4-6H2,1-3H3,(H,12,15,17)
InChIKeyLPZAVZUUOQJBFH-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.20
Rot. Bonds1

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

5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 112600075) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
PubChem CID112600075
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1CCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1
InChIInChI=1S/C11H17N3O3/c1-11(2)8(15)12-10(17)14(9(11)16)7-4-5-13(3)6-7/h7H,4-6H2,1-3H3,(H,12,15,17)
InChIKeyLPZAVZUUOQJBFH-UHFFFAOYSA-N
XLogP-0.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601085
8-(1-methylpiperidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599647
1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601318
1-(1-methylpyrrolidin-3-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600076
1-(3-methoxycyclobutyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 114120625
1-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 115370558
8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947312
8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740867
7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599828
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948526
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
CID 61465092
5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 115947509

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione (CID 112600075) is 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione is CN1CCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1.
What is the InChIKey of 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is LPZAVZUUOQJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2)8(15)12-10(17)14(9(11)16)7-4-5-13(3)6-7/h7H,4-6H2,1-3H3,(H,12,15,17).
What are the key properties of 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 239.27 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112600075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).