ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate

C11H15NO4 — CID 11096270

IUPACethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate
SMILESC=C(C)C(=O)N1C(=O)CCC1C(=O)OCC
InChIInChI=1S/C11H15NO4/c1-4-16-11(15)8-5-6-9(13)12(8)10(14)7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyWOWIVMAFLITXRK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.64
Rot. Bonds3

About ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate

ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 11096270) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID11096270
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate
SMILESC=C(C)C(=O)N1C(=O)CCC1C(=O)OCC
InChIInChI=1S/C11H15NO4/c1-4-16-11(15)8-5-6-9(13)12(8)10(14)7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyWOWIVMAFLITXRK-UHFFFAOYSA-N
XLogP0.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate (CID 11096270) is ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate is C=C(C)C(=O)N1C(=O)CCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is WOWIVMAFLITXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-16-11(15)8-5-6-9(13)12(8)10(14)7(2)3/h8H,2,4-6H2,1,3H3.
What are the key properties of ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate?
ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 11096270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).