4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide

C14H15FN2O4 — CID 178055695

IUPAC4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide
SMILESC=CC1=C(C(=C)F)C(=O)N(C(C)CCC(=O)NC=O)C1=O
InChIInChI=1S/C14H15FN2O4/c1-4-10-12(9(3)15)14(21)17(13(10)20)8(2)5-6-11(19)16-7-18/h4,7-8H,1,3,5-6H2,2H3,(H,16,18,19)
InChIKeyMGNJVORNWDSOER-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.76
Rot. Bonds7

About 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide

4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide (PubChem CID 178055695) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide.

Molecular Properties

Compound Name4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide
PubChem CID178055695
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide
SMILESC=CC1=C(C(=C)F)C(=O)N(C(C)CCC(=O)NC=O)C1=O
InChIInChI=1S/C14H15FN2O4/c1-4-10-12(9(3)15)14(21)17(13(10)20)8(2)5-6-11(19)16-7-18/h4,7-8H,1,3,5-6H2,2H3,(H,16,18,19)
InChIKeyMGNJVORNWDSOER-UHFFFAOYSA-N
XLogP0.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide?
The IUPAC name of 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide (CID 178055695) is 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide.
What is the SMILES notation for 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide?
The canonical SMILES for 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide is C=CC1=C(C(=C)F)C(=O)N(C(C)CCC(=O)NC=O)C1=O.
What is the InChIKey of 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide?
The InChIKey is MGNJVORNWDSOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-4-10-12(9(3)15)14(21)17(13(10)20)8(2)5-6-11(19)16-7-18/h4,7-8H,1,3,5-6H2,2H3,(H,16,18,19).
What are the key properties of 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide?
4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide has a molecular weight of 294.28 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide is sourced from PubChem (CID 178055695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).