(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane

C16H26N2O3 — CID 176695806

IUPAC(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
SMILESC=C/C=C(\C=C)C(=O)NC1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C12H14N2O3.2C2H6/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17;2*1-2/h3-5,9H,1-2,6-7H2,(H,13,16)(H,14,15,17);2*1-2H3/b8-5+;;
InChIKeyNLYUKGRCPUECOI-RMZRELHQSA-N
MW294.40 g/mol
LogP2.26
Rot. Bonds4

About (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane (PubChem CID 176695806) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane.

Molecular Properties

Compound Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
PubChem CID176695806
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
SMILESC=C/C=C(\C=C)C(=O)NC1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C12H14N2O3.2C2H6/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17;2*1-2/h3-5,9H,1-2,6-7H2,(H,13,16)(H,14,15,17);2*1-2H3/b8-5+;;
InChIKeyNLYUKGRCPUECOI-RMZRELHQSA-N
XLogP2.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
CID 156866667
3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
CID 155207749
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
(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
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
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
(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide
CID 156867033

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane?
The IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane (CID 176695806) is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane.
What is the SMILES notation for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane?
The canonical SMILES for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane is C=C/C=C(\C=C)C(=O)NC1CCC(=O)NC1=O.CC.CC.
What is the InChIKey of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane?
The InChIKey is NLYUKGRCPUECOI-RMZRELHQSA-N. The full InChI is InChI=1S/C12H14N2O3.2C2H6/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17;2*1-2/h3-5,9H,1-2,6-7H2,(H,13,16)(H,14,15,17);2*1-2H3/b8-5+;;.
What are the key properties of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane?
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane has a molecular weight of 294.40 g/mol, XLogP of 2.26, 4 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-ethenylpenta-2,4-dienamide;ethane is sourced from PubChem (CID 176695806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).