N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide

C11H16N2O3 — CID 135296365

IUPACN-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H16N2O3/c1-6(2)7(3)10(15)12-8-4-5-9(14)13-11(8)16/h8H,4-5H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyHSXMACSVRILAAL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.26
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide (PubChem CID 135296365) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide
PubChem CID135296365
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H16N2O3/c1-6(2)7(3)10(15)12-8-4-5-9(14)13-11(8)16/h8H,4-5H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyHSXMACSVRILAAL-UHFFFAOYSA-N
XLogP0.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.26
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide (CID 135296365) is N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide is CC(C)=C(C)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide?
The InChIKey is HSXMACSVRILAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)7(3)10(15)12-8-4-5-9(14)13-11(8)16/h8H,4-5H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide?
N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide has a molecular weight of 224.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 135296365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).