(6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione

C6H8N2O3 — CID 143325770

IUPAC(6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1C(=O)NC(=O)N/C1=C/O
InChIInChI=1S/C6H8N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2-3,9H,1H3,(H2,7,8,10,11)/b4-2+
InChIKeyKWNMFRQMQXXRLJ-DUXPYHPUSA-N
MW156.14 g/mol
LogP-0.14
Rot. Bonds

About (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione

(6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 143325770) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID143325770
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1C(=O)NC(=O)N/C1=C/O
InChIInChI=1S/C6H8N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2-3,9H,1H3,(H2,7,8,10,11)/b4-2+
InChIKeyKWNMFRQMQXXRLJ-DUXPYHPUSA-N
XLogP-0.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 60079342
Ethane;5-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143251897

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione (CID 143325770) is (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione is CC1C(=O)NC(=O)N/C1=C/O.
What is the InChIKey of (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is KWNMFRQMQXXRLJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2-3,9H,1H3,(H2,7,8,10,11)/b4-2+.
What are the key properties of (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione?
(6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(hydroxymethylidene)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 143325770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).