(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide

C12H15FN2O3 — CID 165136848

IUPAC(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide
SMILESC/C=C(\C=C(C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H15FN2O3/c1-3-8(6-7(2)13)11(17)14-9-4-5-10(16)15-12(9)18/h3,6,9H,4-5H2,1-2H3,(H,14,17)(H,15,16,18)/b7-6?,8-3+
InChIKeyLRGHWIAQAYTWFI-YXDHQLTHSA-N
MW254.26 g/mol
LogP0.73
Rot. Bonds3

About (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide (PubChem CID 165136848) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide.

Molecular Properties

Compound Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide
PubChem CID165136848
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide
SMILESC/C=C(\C=C(C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H15FN2O3/c1-3-8(6-7(2)13)11(17)14-9-4-5-10(16)15-12(9)18/h3,6,9H,4-5H2,1-2H3,(H,14,17)(H,15,16,18)/b7-6?,8-3+
InChIKeyLRGHWIAQAYTWFI-YXDHQLTHSA-N
XLogP0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.73
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide?
The IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide (CID 165136848) is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide.
What is the SMILES notation for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide?
The canonical SMILES for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide is C/C=C(\C=C(C)F)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide?
The InChIKey is LRGHWIAQAYTWFI-YXDHQLTHSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-8(6-7(2)13)11(17)14-9-4-5-10(16)15-12(9)18/h3,6,9H,4-5H2,1-2H3,(H,14,17)(H,15,16,18)/b7-6?,8-3+.
What are the key properties of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide?
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide has a molecular weight of 254.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide is sourced from PubChem (CID 165136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).