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

C7H9N3O4 — CID 1487860

IUPAC5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C=NO)C(=O)N(C)C1=O
InChIInChI=1S/C7H9N3O4/c1-9-5(11)4(3-8-14)6(12)10(2)7(9)13/h3-4,14H,1-2H3
InChIKeyUCIBYFRLVHWZCO-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.89
Rot. Bonds1

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

5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 1487860) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID1487860
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C=NO)C(=O)N(C)C1=O
InChIInChI=1S/C7H9N3O4/c1-9-5(11)4(3-8-14)6(12)10(2)7(9)13/h3-4,14H,1-2H3
InChIKeyUCIBYFRLVHWZCO-UHFFFAOYSA-N
XLogP-0.89
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 1487860) is 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(C=NO)C(=O)N(C)C1=O.
What is the InChIKey of 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UCIBYFRLVHWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-9-5(11)4(3-8-14)6(12)10(2)7(9)13/h3-4,14H,1-2H3.
What are the key properties of 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 199.17 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyiminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1487860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).