(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione

C7H9NO3 — CID 5476900

IUPAC(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione
SMILESCO/C=C1\CC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO3/c1-8-6(9)3-5(4-11-2)7(8)10/h4H,3H2,1-2H3/b5-4+
InChIKeyQXGIVJGHNDCLFO-SNAWJCMRSA-N
MW155.15 g/mol
LogP-0.09
Rot. Bonds1

About (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione

(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione (PubChem CID 5476900) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione
PubChem CID5476900
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione
SMILESCO/C=C1\CC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO3/c1-8-6(9)3-5(4-11-2)7(8)10/h4H,3H2,1-2H3/b5-4+
InChIKeyQXGIVJGHNDCLFO-SNAWJCMRSA-N
XLogP-0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione (CID 5476900) is (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione is CO/C=C1\CC(=O)N(C)C1=O.
What is the InChIKey of (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione?
The InChIKey is QXGIVJGHNDCLFO-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H9NO3/c1-8-6(9)3-5(4-11-2)7(8)10/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione?
(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 5476900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).