dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate

C11H16N2O5 — CID 25068404

IUPACdimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1C/C(=C\N(C)C)C(=O)N1C(=O)OC
InChIInChI=1S/C11H16N2O5/c1-12(2)6-7-5-8(10(15)17-3)13(9(7)14)11(16)18-4/h6,8H,5H2,1-4H3/b7-6+
InChIKeyJUWMERXBKNDMGX-VOTSOKGWSA-N
MW256.26 g/mol
LogP-0.03
Rot. Bonds2

About dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate

dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 25068404) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID25068404
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namedimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1C/C(=C\N(C)C)C(=O)N1C(=O)OC
InChIInChI=1S/C11H16N2O5/c1-12(2)6-7-5-8(10(15)17-3)13(9(7)14)11(16)18-4/h6,8H,5H2,1-4H3/b7-6+
InChIKeyJUWMERXBKNDMGX-VOTSOKGWSA-N
XLogP-0.03
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate (CID 25068404) is dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)C1C/C(=C\N(C)C)C(=O)N1C(=O)OC.
What is the InChIKey of dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is JUWMERXBKNDMGX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-12(2)6-7-5-8(10(15)17-3)13(9(7)14)11(16)18-4/h6,8H,5H2,1-4H3/b7-6+.
What are the key properties of dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate?
dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 256.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-4-(dimethylaminomethylidene)-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 25068404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).