(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten

C14H21N2O3W- — CID 156866667

IUPAC(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
SMILESC/C=[C-]/C(=C\C)C(=O)NC1CCC(=O)NC1=O.CC.[W]
InChIInChI=1S/C12H15N2O3.C2H6.W/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17;1-2;/h3-4,9H,6-7H2,1-2H3,(H,13,16)(H,14,15,17);1-2H3;/q-1;;/b8-4+;;
InChIKeyNNPAKPDOINNISU-ZDTICIBISA-N
MW449.17 g/mol
LogP1.26
Rot. Bonds3

About (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten (PubChem CID 156866667) has the molecular formula C14H21N2O3W- and a molecular weight of 449.17 g/mol. Its IUPAC name is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten.

Molecular Properties

Compound Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
PubChem CID156866667
Molecular FormulaC14H21N2O3W-
Molecular Weight449.17 g/mol
Exact Mass449.11
IUPAC Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
SMILESC/C=[C-]/C(=C\C)C(=O)NC1CCC(=O)NC1=O.CC.[W]
InChIInChI=1S/C12H15N2O3.C2H6.W/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17;1-2;/h3-4,9H,6-7H2,1-2H3,(H,13,16)(H,14,15,17);1-2H3;/q-1;;/b8-4+;;
InChIKeyNNPAKPDOINNISU-ZDTICIBISA-N
XLogP1.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten
CID 156866610
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
CID 172587311
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
CID 153385187
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten?
The IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten (CID 156866667) is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten.
What is the SMILES notation for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten?
The canonical SMILES for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten is C/C=[C-]/C(=C\C)C(=O)NC1CCC(=O)NC1=O.CC.[W].
What is the InChIKey of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten?
The InChIKey is NNPAKPDOINNISU-ZDTICIBISA-N. The full InChI is InChI=1S/C12H15N2O3.C2H6.W/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17;1-2;/h3-4,9H,6-7H2,1-2H3,(H,13,16)(H,14,15,17);1-2H3;/q-1;;/b8-4+;;.
What are the key properties of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten?
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten has a molecular weight of 449.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten is sourced from PubChem (CID 156866667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).