dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate

C15H19NO7 — CID 15184882

IUPACdimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)C1=C(N2CCCC2)C(OC)OC1=O
InChIInChI=1S/C15H19NO7/c1-20-10(17)8-9(13(18)21-2)11-12(16-6-4-5-7-16)15(22-3)23-14(11)19/h8,15H,4-7H2,1-3H3/b9-8-
InChIKeySXFLJHWQJJOWEF-HJWRWDBZSA-N
MW325.32 g/mol
LogP0.14
Rot. Bonds5

About dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate

dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate (PubChem CID 15184882) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate
PubChem CID15184882
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Namedimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)C1=C(N2CCCC2)C(OC)OC1=O
InChIInChI=1S/C15H19NO7/c1-20-10(17)8-9(13(18)21-2)11-12(16-6-4-5-7-16)15(22-3)23-14(11)19/h8,15H,4-7H2,1-3H3/b9-8-
InChIKeySXFLJHWQJJOWEF-HJWRWDBZSA-N
XLogP0.14
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate?
The IUPAC name of dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate (CID 15184882) is dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate is COC(=O)/C=C(\C(=O)OC)C1=C(N2CCCC2)C(OC)OC1=O.
What is the InChIKey of dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate?
The InChIKey is SXFLJHWQJJOWEF-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H19NO7/c1-20-10(17)8-9(13(18)21-2)11-12(16-6-4-5-7-16)15(22-3)23-14(11)19/h8,15H,4-7H2,1-3H3/b9-8-.
What are the key properties of dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate?
dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate has a molecular weight of 325.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-(2-methoxy-5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)but-2-enedioate is sourced from PubChem (CID 15184882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).