(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide

C13H15FN2O3 — CID 153385188

IUPAC(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C(/C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H15FN2O3/c1-8(4-3-5-9(2)14)12(18)15-10-6-7-11(17)16-13(10)19/h3-5,10H,1,6-7H2,2H3,(H,15,18)(H,16,17,19)/b4-3-,9-5+
InChIKeyVNVQHUBTFQALAN-XBURUKCPSA-N
MW266.27 g/mol
LogP0.89
Rot. Bonds4

About (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide

(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide (PubChem CID 153385188) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide
PubChem CID153385188
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C(/C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H15FN2O3/c1-8(4-3-5-9(2)14)12(18)15-10-6-7-11(17)16-13(10)19/h3-5,10H,1,6-7H2,2H3,(H,15,18)(H,16,17,19)/b4-3-,9-5+
InChIKeyVNVQHUBTFQALAN-XBURUKCPSA-N
XLogP0.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.89
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 (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide (CID 153385188) is (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide is C=C(/C=C\C=C(/C)F)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide?
The InChIKey is VNVQHUBTFQALAN-XBURUKCPSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(4-3-5-9(2)14)12(18)15-10-6-7-11(17)16-13(10)19/h3-5,10H,1,6-7H2,2H3,(H,15,18)(H,16,17,19)/b4-3-,9-5+.
What are the key properties of (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide?
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide has a molecular weight of 266.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 153385188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).