(3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione

C11H11NO5 — CID 140686776

IUPAC(3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione
SMILESCC1=CC(O/C=C2\CC(=O)N(C)C2=O)OC1=O
InChIInChI=1S/C11H11NO5/c1-6-3-9(17-11(6)15)16-5-7-4-8(13)12(2)10(7)14/h3,5,9H,4H2,1-2H3/b7-5+
InChIKeyLKWXPRIACYGOMW-FNORWQNLSA-N
MW237.21 g/mol
LogP0.10
Rot. Bonds2

About (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione

(3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione (PubChem CID 140686776) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione
PubChem CID140686776
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name(3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione
SMILESCC1=CC(O/C=C2\CC(=O)N(C)C2=O)OC1=O
InChIInChI=1S/C11H11NO5/c1-6-3-9(17-11(6)15)16-5-7-4-8(13)12(2)10(7)14/h3,5,9H,4H2,1-2H3/b7-5+
InChIKeyLKWXPRIACYGOMW-FNORWQNLSA-N
XLogP0.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione (CID 140686776) is (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione is CC1=CC(O/C=C2\CC(=O)N(C)C2=O)OC1=O.
What is the InChIKey of (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione?
The InChIKey is LKWXPRIACYGOMW-FNORWQNLSA-N. The full InChI is InChI=1S/C11H11NO5/c1-6-3-9(17-11(6)15)16-5-7-4-8(13)12(2)10(7)14/h3,5,9H,4H2,1-2H3/b7-5+.
What are the key properties of (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione?
(3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione has a molecular weight of 237.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 140686776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).