(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide

C10H14N2O3 — CID 70848466

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-3-6(2)9(14)11-7-4-5-8(13)12-10(7)15/h3,7H,4-5H2,1-2H3,(H,11,14)(H,12,13,15)/b6-3-
InChIKeyQBZBTWYYTYLSQL-UTCJRWHESA-N
MW210.23 g/mol
LogP-0.13
Rot. Bonds2

About (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide (PubChem CID 70848466) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide
PubChem CID70848466
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-3-6(2)9(14)11-7-4-5-8(13)12-10(7)15/h3,7H,4-5H2,1-2H3,(H,11,14)(H,12,13,15)/b6-3-
InChIKeyQBZBTWYYTYLSQL-UTCJRWHESA-N
XLogP-0.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.13
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide (CID 70848466) is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide is C/C=C(/C)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide?
The InChIKey is QBZBTWYYTYLSQL-UTCJRWHESA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-6(2)9(14)11-7-4-5-8(13)12-10(7)15/h3,7H,4-5H2,1-2H3,(H,11,14)(H,12,13,15)/b6-3-.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide?
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide has a molecular weight of 210.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide is sourced from PubChem (CID 70848466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).