1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione

C14H13NO4 — CID 59193555

IUPAC1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione
SMILESC=COCCOc1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C14H13NO4/c1-2-18-8-9-19-12-5-3-4-11(10-12)15-13(16)6-7-14(15)17/h2-7,10H,1,8-9H2
InChIKeyNJSQBYWMILOBTH-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.65
Rot. Bonds6

About 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione

1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 59193555) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione
PubChem CID59193555
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione
SMILESC=COCCOc1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C14H13NO4/c1-2-18-8-9-19-12-5-3-4-11(10-12)15-13(16)6-7-14(15)17/h2-7,10H,1,8-9H2
InChIKeyNJSQBYWMILOBTH-UHFFFAOYSA-N
XLogP1.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione
CID 102065319
1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
CID 59193557
1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 3253093
1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene
CID 140750024
3-(2-ethenoxyethoxy)benzonitrile
CID 66734813
1-[3-[3-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 69052186
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 22155630
[3-(2,5-dioxopyrrol-1-yl)phenyl] cyanate
CID 19967611
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione
CID 17169748
1-[3-[[3-(2,5-dioxopyrrol-1-yl)phenoxy]-phenylmethoxy]phenyl]pyrrole-2,5-dione
CID 141170078
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione (CID 59193555) is 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione is C=COCCOc1cccc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is NJSQBYWMILOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-18-8-9-19-12-5-3-4-11(10-12)15-13(16)6-7-14(15)17/h2-7,10H,1,8-9H2.
What are the key properties of 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione?
1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 259.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 59193555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).