(2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate

C11H13NO6 — CID 59733227

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H13NO6/c1-2-10(15)17-7-3-4-11(16)18-12-8(13)5-6-9(12)14/h2H,1,3-7H2
InChIKeyVKCFKJGJJOIFKA-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.10
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate

(2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate (PubChem CID 59733227) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate
PubChem CID59733227
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H13NO6/c1-2-10(15)17-7-3-4-11(16)18-12-8(13)5-6-9(12)14/h2H,1,3-7H2
InChIKeyVKCFKJGJJOIFKA-UHFFFAOYSA-N
XLogP0.10
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate (CID 59733227) is (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate is C=CC(=O)OCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate?
The InChIKey is VKCFKJGJJOIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-2-10(15)17-7-3-4-11(16)18-12-8(13)5-6-9(12)14/h2H,1,3-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-prop-2-enoyloxybutanoate has a molecular weight of 255.23 g/mol, XLogP of 0.10, 6 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) 4-prop-2-enoyloxybutanoate is sourced from PubChem (CID 59733227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).