(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane

C15H17NO6 — CID 143085911

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
SMILESCC.O=Cc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H11NO6.C2H6/c15-7-9-1-3-10(4-2-9)19-8-13(18)20-14-11(16)5-6-12(14)17;1-2/h1-4,7H,5-6,8H2;1-2H3
InChIKeyWNEIMSHJTDHGBB-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.51
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane

(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane (PubChem CID 143085911) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
PubChem CID143085911
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
SMILESCC.O=Cc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H11NO6.C2H6/c15-7-9-1-3-10(4-2-9)19-8-13(18)20-14-11(16)5-6-12(14)17;1-2/h1-4,7H,5-6,8H2;1-2H3
InChIKeyWNEIMSHJTDHGBB-UHFFFAOYSA-N
XLogP1.51
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
CID 155293526
(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane
CID 145408328
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154776108
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
propyl 2-(4-formylphenoxy)acetate
CID 17245126
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
CID 159218851
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane (CID 143085911) is (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane is CC.O=Cc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane?
The InChIKey is WNEIMSHJTDHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO6.C2H6/c15-7-9-1-3-10(4-2-9)19-8-13(18)20-14-11(16)5-6-12(14)17;1-2/h1-4,7H,5-6,8H2;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane?
(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane has a molecular weight of 307.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane is sourced from PubChem (CID 143085911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).