(6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione

C6H7N3O2 — CID 118973903

IUPAC(6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione
SMILESC=N/C=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C6H7N3O2/c1-7-3-4-2-5(10)9-6(11)8-4/h3H,1-2H2,(H2,8,9,10,11)/b4-3+
InChIKeyUWSGBMVDYLDYKJ-ONEGZZNKSA-N
MW153.14 g/mol
LogP-0.24
Rot. Bonds1

About (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione

(6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione (PubChem CID 118973903) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione
PubChem CID118973903
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name(6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione
SMILESC=N/C=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C6H7N3O2/c1-7-3-4-2-5(10)9-6(11)8-4/h3H,1-2H2,(H2,8,9,10,11)/b4-3+
InChIKeyUWSGBMVDYLDYKJ-ONEGZZNKSA-N
XLogP-0.24
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-diazinane-2,4,6-trione;methane
CID 70575233
CID 69134570
CID 69134570
magnesium;1,3-diazinane-2,4,6-trione;hydride
CID 173055319
bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
CID 139202074
sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine
CID 174594549
copper;imidazolidine-2,4-dione
CID 67120841
imidazolidine-2,4-dione;trihydrate
CID 70617866
1,3-diazonane-2,4,9-trione;dihydrate
CID 160784508
ethane;imidazolidine-2,4-dione
CID 90911393
(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione
CID 136643579
1,3-diazinane-2,4,6-trione;4-methylaniline
CID 175000638
1,3-diazinane-2,4,6-trione;2H-pyran
CID 175296770

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione?
The IUPAC name of (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione (CID 118973903) is (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione is C=N/C=C1\CC(=O)NC(=O)N1.
What is the InChIKey of (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione?
The InChIKey is UWSGBMVDYLDYKJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-7-3-4-2-5(10)9-6(11)8-4/h3H,1-2H2,(H2,8,9,10,11)/b4-3+.
What are the key properties of (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione?
(6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione has a molecular weight of 153.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(methylideneamino)methylidene]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 118973903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).