1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate

C10H13NO4 — CID 141166852

IUPAC1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CC(=O)NC1=O
InChIInChI=1S/C10H13NO4/c1-5(2)10(14)15-6(3)7-4-8(12)11-9(7)13/h6-7H,1,4H2,2-3H3,(H,11,12,13)
InChIKeyLCRFLQXTFOGXCE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.16
Rot. Bonds3

About 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate

1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate (PubChem CID 141166852) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
PubChem CID141166852
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CC(=O)NC1=O
InChIInChI=1S/C10H13NO4/c1-5(2)10(14)15-6(3)7-4-8(12)11-9(7)13/h6-7H,1,4H2,2-3H3,(H,11,12,13)
InChIKeyLCRFLQXTFOGXCE-UHFFFAOYSA-N
XLogP0.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
CID 67153157
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate
CID 125471699
propan-2-yl 2-methylprop-2-enoate
CID 146421311
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
CID 172855490
(3S)-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
CID 71614352
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
propan-2-yl 2-methylprop-2-enoate;2-propylcyclopropan-1-one
CID 18784426
1-(2,4,6-trioxo-1,3,5-triazinan-1-yl)ethyl 2-methylprop-2-enoate
CID 174497886
1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate
CID 89057270
1-hydroxysulfanylethyl 2-methylprop-2-enoate
CID 23363156

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate (CID 141166852) is 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1CC(=O)NC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is LCRFLQXTFOGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-5(2)10(14)15-6(3)7-4-8(12)11-9(7)13/h6-7H,1,4H2,2-3H3,(H,11,12,13).
What are the key properties of 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate?
1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 211.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 141166852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).