2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate

C11H13NO7 — CID 102051298

IUPAC2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H13NO7/c1-7(2)10(15)17-5-6-18-11(16)19-12-8(13)3-4-9(12)14/h1,3-6H2,2H3
InChIKeyKCMIPLSJELXLOP-UHFFFAOYSA-N
MW271.22 g/mol
LogP0.32
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate

2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate (PubChem CID 102051298) has the molecular formula C11H13NO7 and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
PubChem CID102051298
Molecular FormulaC11H13NO7
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H13NO7/c1-7(2)10(15)17-5-6-18-11(16)19-12-8(13)3-4-9(12)14/h1,3-6H2,2H3
InChIKeyKCMIPLSJELXLOP-UHFFFAOYSA-N
XLogP0.32
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2-methylprop-2-enoylamino)pentanoate
CID 90373410
2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 122429871
(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate
CID 155073311
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
CID 175366998

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate (CID 102051298) is 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate?
The InChIKey is KCMIPLSJELXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO7/c1-7(2)10(15)17-5-6-18-11(16)19-12-8(13)3-4-9(12)14/h1,3-6H2,2H3.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate?
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate has a molecular weight of 271.22 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 102051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).