(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane

C14H21N3O3 — CID 142390396

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
SMILESC=C/N=C(\C=C/C)C(=O)NC1CCC(=O)NC1=O.CC
InChIInChI=1S/C12H15N3O3.C2H6/c1-3-5-8(13-4-2)11(17)14-9-6-7-10(16)15-12(9)18;1-2/h3-5,9H,2,6-7H2,1H3,(H,14,17)(H,15,16,18);1-2H3/b5-3-,13-8+;
InChIKeyPOQOCJOWPFLQBZ-YSAJSQATSA-N
MW279.34 g/mol
LogP1.09
Rot. Bonds4

About (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane (PubChem CID 142390396) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
PubChem CID142390396
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
SMILESC=C/N=C(\C=C/C)C(=O)NC1CCC(=O)NC1=O.CC
InChIInChI=1S/C12H15N3O3.C2H6/c1-3-5-8(13-4-2)11(17)14-9-6-7-10(16)15-12(9)18;1-2/h3-5,9H,2,6-7H2,1H3,(H,14,17)(H,15,16,18);1-2H3/b5-3-,13-8+;
InChIKeyPOQOCJOWPFLQBZ-YSAJSQATSA-N
XLogP1.09
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Iminopent-3-enoylamino)pentanediamide
CID 123237024
(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)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
CID 145488244
(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
CID 145488365
3-[[(Z)-hept-4-enyl]amino]piperidine-2,6-dione
CID 146587220
(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane
CID 153330307
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
CID 155031244
N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium
CID 155787459
N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide
CID 156502092
3-[[(Z)-hex-3-en-2-yl]amino]piperidine-2,6-dione
CID 156517411
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane (CID 142390396) is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane is C=C/N=C(\C=C/C)C(=O)NC1CCC(=O)NC1=O.CC.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane?
The InChIKey is POQOCJOWPFLQBZ-YSAJSQATSA-N. The full InChI is InChI=1S/C12H15N3O3.C2H6/c1-3-5-8(13-4-2)11(17)14-9-6-7-10(16)15-12(9)18;1-2/h3-5,9H,2,6-7H2,1H3,(H,14,17)(H,15,16,18);1-2H3/b5-3-,13-8+;.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane?
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane has a molecular weight of 279.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane is sourced from PubChem (CID 142390396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).