(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide

C11H15N3O3 — CID 163850655

IUPAC(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide
SMILESC=C(/C=C\CC)C(=O)NC1CC(=O)NC(=O)N1
InChIInChI=1S/C11H15N3O3/c1-3-4-5-7(2)10(16)12-8-6-9(15)14-11(17)13-8/h4-5,8H,2-3,6H2,1H3,(H,12,16)(H2,13,14,15,17)/b5-4-
InChIKeyOUBLUKCIUHXYPI-PLNGDYQASA-N
MW237.26 g/mol
LogP0.18
Rot. Bonds4

About (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide

(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide (PubChem CID 163850655) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide
PubChem CID163850655
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide
SMILESC=C(/C=C\CC)C(=O)NC1CC(=O)NC(=O)N1
InChIInChI=1S/C11H15N3O3/c1-3-4-5-7(2)10(16)12-8-6-9(15)14-11(17)13-8/h4-5,8H,2-3,6H2,1H3,(H,12,16)(H2,13,14,15,17)/b5-4-
InChIKeyOUBLUKCIUHXYPI-PLNGDYQASA-N
XLogP0.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
CID 139903070
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
potassium 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 45048888
magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
CID 122130903
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
CID 76549402
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide
CID 170313868
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
CID 153385187
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
(6S)-6-methyl-1,3-diazinane-2,4-dione
CID 6951747
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide?
The IUPAC name of (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide (CID 163850655) is (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide is C=C(/C=C\CC)C(=O)NC1CC(=O)NC(=O)N1.
What is the InChIKey of (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide?
The InChIKey is OUBLUKCIUHXYPI-PLNGDYQASA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-4-5-7(2)10(16)12-8-6-9(15)14-11(17)13-8/h4-5,8H,2-3,6H2,1H3,(H,12,16)(H2,13,14,15,17)/b5-4-.
What are the key properties of (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide?
(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide has a molecular weight of 237.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide is sourced from PubChem (CID 163850655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).