(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane

C16H21N3O4 — CID 153330307

IUPAC(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane
SMILESC=C/N=C1\C(=O)N(C2CCC(=O)NC2=O)C(=O)C\C1=C\C.CC
InChIInChI=1S/C14H15N3O4.C2H6/c1-3-8-7-11(19)17(14(21)12(8)15-4-2)9-5-6-10(18)16-13(9)20;1-2/h3-4,9H,2,5-7H2,1H3,(H,16,18,20);1-2H3/b8-3-,15-12-;
InChIKeyBBMBXMGPSXKLCR-ICTIGZCRSA-N
MW319.36 g/mol
LogP1.11
Rot. Bonds2

About (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane

(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane (PubChem CID 153330307) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane.

Molecular Properties

Compound Name(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane
PubChem CID153330307
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane
SMILESC=C/N=C1\C(=O)N(C2CCC(=O)NC2=O)C(=O)C\C1=C\C.CC
InChIInChI=1S/C14H15N3O4.C2H6/c1-3-8-7-11(19)17(14(21)12(8)15-4-2)9-5-6-10(18)16-13(9)20;1-2/h3-4,9H,2,5-7H2,1H3,(H,16,18,20);1-2H3/b8-3-,15-12-;
InChIKeyBBMBXMGPSXKLCR-ICTIGZCRSA-N
XLogP1.11
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide
CID 135173846
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
CID 142390396
ethane;3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione
CID 144947805
1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane
CID 153330332
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
CID 155031244
(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione
CID 155331355
N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium
CID 155787459
10-(2,6-Dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione
CID 163655579
3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione
CID 144947806
(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione
CID 153330308
1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione
CID 153330333

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane?
The IUPAC name of (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane (CID 153330307) is (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane.
What is the SMILES notation for (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane?
The canonical SMILES for (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane is C=C/N=C1\C(=O)N(C2CCC(=O)NC2=O)C(=O)C\C1=C\C.CC.
What is the InChIKey of (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane?
The InChIKey is BBMBXMGPSXKLCR-ICTIGZCRSA-N. The full InChI is InChI=1S/C14H15N3O4.C2H6/c1-3-8-7-11(19)17(14(21)12(8)15-4-2)9-5-6-10(18)16-13(9)20;1-2/h3-4,9H,2,5-7H2,1H3,(H,16,18,20);1-2H3/b8-3-,15-12-;.
What are the key properties of (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane?
(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane has a molecular weight of 319.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane is sourced from PubChem (CID 153330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).