(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide

C12H18N2O3 — CID 135278360

IUPAC(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide
SMILESCC/C=C(\CC)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17/h5,9H,3-4,6-7H2,1-2H3,(H,13,16)(H,14,15,17)/b8-5+
InChIKeyMRRMZKZDYZHASO-VMPITWQZSA-N
MW238.29 g/mol
LogP0.65
Rot. Bonds4

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

(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide (PubChem CID 135278360) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide
PubChem CID135278360
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide
SMILESCC/C=C(\CC)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17/h5,9H,3-4,6-7H2,1-2H3,(H,13,16)(H,14,15,17)/b8-5+
InChIKeyMRRMZKZDYZHASO-VMPITWQZSA-N
XLogP0.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.65
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 (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide?
The IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide (CID 135278360) is (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide?
The canonical SMILES for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide is CC/C=C(\CC)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide?
The InChIKey is MRRMZKZDYZHASO-VMPITWQZSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-5-8(4-2)11(16)13-9-6-7-10(15)14-12(9)17/h5,9H,3-4,6-7H2,1-2H3,(H,13,16)(H,14,15,17)/b8-5+.
What are the key properties of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide?
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide has a molecular weight of 238.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide is sourced from PubChem (CID 135278360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).