ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione

C16H28N2O2 — CID 177338978

IUPACethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
SMILESC=C/C(=N\C=C(C)C)C1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C12H16N2O2.2C2H6/c1-4-10(13-7-8(2)3)9-5-6-11(15)14-12(9)16;2*1-2/h4,7,9H,1,5-6H2,2-3H3,(H,14,15,16);2*1-2H3/b13-10+;;
InChIKeyIMGZEQGDMHZILK-JFXLULTRSA-N
MW280.41 g/mol
LogP3.64
Rot. Bonds3

About ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione

ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione (PubChem CID 177338978) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
PubChem CID177338978
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
SMILESC=C/C(=N\C=C(C)C)C1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C12H16N2O2.2C2H6/c1-4-10(13-7-8(2)3)9-5-6-11(15)14-12(9)16;2*1-2/h4,7,9H,1,5-6H2,2-3H3,(H,14,15,16);2*1-2H3/b13-10+;;
InChIKeyIMGZEQGDMHZILK-JFXLULTRSA-N
XLogP3.64
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
CID 172570194
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
CID 170003315
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208

Frequently Asked Questions

What is the IUPAC name of ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione (CID 177338978) is ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione is C=C/C(=N\C=C(C)C)C1CCC(=O)NC1=O.CC.CC.
What is the InChIKey of ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione?
The InChIKey is IMGZEQGDMHZILK-JFXLULTRSA-N. The full InChI is InChI=1S/C12H16N2O2.2C2H6/c1-4-10(13-7-8(2)3)9-5-6-11(15)14-12(9)16;2*1-2/h4,7,9H,1,5-6H2,2-3H3,(H,14,15,16);2*1-2H3/b13-10+;;.
What are the key properties of ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione?
ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione has a molecular weight of 280.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione is sourced from PubChem (CID 177338978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).