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

C11H17N3O3 — CID 12010770

IUPAC1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCC1CNCC1C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H17N3O3/c1-6-4-12-5-7(6)8-9(15)13(2)11(17)14(3)10(8)16/h6-8,12H,4-5H2,1-3H3
InChIKeyLAUDFCOJVYRZFB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.49
Rot. Bonds1

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

1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 12010770) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
PubChem CID12010770
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCC1CNCC1C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H17N3O3/c1-6-4-12-5-7(6)8-9(15)13(2)11(17)14(3)10(8)16/h6-8,12H,4-5H2,1-3H3
InChIKeyLAUDFCOJVYRZFB-UHFFFAOYSA-N
XLogP-0.49
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 ≤ 5-0.49
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione (CID 12010770) is 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione is CC1CNCC1C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is LAUDFCOJVYRZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6-4-12-5-7(6)8-9(15)13(2)11(17)14(3)10(8)16/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 239.27 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12010770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).