(2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate

C10H11NO6 — CID 58319698

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6/c1-2-9(14)16-6-5-10(15)17-11-7(12)3-4-8(11)13/h2H,1,3-6H2
InChIKeyQRFYVWLSONYALS-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.29
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate

(2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate (PubChem CID 58319698) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate
PubChem CID58319698
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6/c1-2-9(14)16-6-5-10(15)17-11-7(12)3-4-8(11)13/h2H,1,3-6H2
InChIKeyQRFYVWLSONYALS-UHFFFAOYSA-N
XLogP-0.29
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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) 3-prop-2-enoyloxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate (CID 58319698) is (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate?
The InChIKey is QRFYVWLSONYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-2-9(14)16-6-5-10(15)17-11-7(12)3-4-8(11)13/h2H,1,3-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate?
(2,5-dioxopyrrolidin-1-yl) 3-prop-2-enoyloxypropanoate has a molecular weight of 241.20 g/mol, XLogP of -0.29, 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) 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 58319698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).