(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide

C15H17FN2O4 — CID 142616415

IUPAC(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
SMILESC=C/C=C(C=O)\C(C(=O)N(C)C1CCC(=O)NC1=O)=C(/C)F
InChIInChI=1S/C15H17FN2O4/c1-4-5-10(8-19)13(9(2)16)15(22)18(3)11-6-7-12(20)17-14(11)21/h4-5,8,11H,1,6-7H2,2-3H3,(H,17,20,21)/b10-5-,13-9-
InChIKeyZZHNDTSDNMBTBF-LRGNXCJWSA-N
MW308.31 g/mol
LogP0.80
Rot. Bonds5

About (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide

(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide (PubChem CID 142616415) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
PubChem CID142616415
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
SMILESC=C/C=C(C=O)\C(C(=O)N(C)C1CCC(=O)NC1=O)=C(/C)F
InChIInChI=1S/C15H17FN2O4/c1-4-5-10(8-19)13(9(2)16)15(22)18(3)11-6-7-12(20)17-14(11)21/h4-5,8,11H,1,6-7H2,2-3H3,(H,17,20,21)/b10-5-,13-9-
InChIKeyZZHNDTSDNMBTBF-LRGNXCJWSA-N
XLogP0.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide?
The IUPAC name of (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide (CID 142616415) is (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide.
What is the SMILES notation for (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide?
The canonical SMILES for (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide is C=C/C=C(C=O)\C(C(=O)N(C)C1CCC(=O)NC1=O)=C(/C)F.
What is the InChIKey of (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide?
The InChIKey is ZZHNDTSDNMBTBF-LRGNXCJWSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-4-5-10(8-19)13(9(2)16)15(22)18(3)11-6-7-12(20)17-14(11)21/h4-5,8,11H,1,6-7H2,2-3H3,(H,17,20,21)/b10-5-,13-9-.
What are the key properties of (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide?
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide has a molecular weight of 308.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide is sourced from PubChem (CID 142616415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).