(6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione

C5H7N3O3 — CID 137052043

IUPAC(6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C/C(=N\O)NC1=O
InChIInChI=1S/C5H7N3O3/c1-8-4(9)2-3(7-11)6-5(8)10/h11H,2H2,1H3,(H,6,7,10)
InChIKeyOXDZRBTYZHLBAA-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.65
Rot. Bonds

About (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione

(6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 137052043) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione
PubChem CID137052043
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C/C(=N\O)NC1=O
InChIInChI=1S/C5H7N3O3/c1-8-4(9)2-3(7-11)6-5(8)10/h11H,2H2,1H3,(H,6,7,10)
InChIKeyOXDZRBTYZHLBAA-UHFFFAOYSA-N
XLogP-0.65
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione (CID 137052043) is (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione is CN1C(=O)C/C(=N\O)NC1=O.
What is the InChIKey of (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is OXDZRBTYZHLBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-8-4(9)2-3(7-11)6-5(8)10/h11H,2H2,1H3,(H,6,7,10).
What are the key properties of (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione?
(6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 157.13 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-hydroxyimino-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 137052043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).