(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione

C8H11NO5 — CID 122469837

IUPAC(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione
SMILESCO/C=C/C(=O)O.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H6O3/c6-3-1-2-4(7)5-3;1-7-3-2-4(5)6/h1-2H2,(H,5,6,7);2-3H,1H3,(H,5,6)/b;3-2+
InChIKeyWYZDBGRXFJSYSH-ZPYUXNTASA-N
MW201.18 g/mol
LogP-0.35
Rot. Bonds2

About (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione

(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione (PubChem CID 122469837) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione
PubChem CID122469837
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione
SMILESCO/C=C/C(=O)O.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H6O3/c6-3-1-2-4(7)5-3;1-7-3-2-4(5)6/h1-2H2,(H,5,6,7);2-3H,1H3,(H,5,6)/b;3-2+
InChIKeyWYZDBGRXFJSYSH-ZPYUXNTASA-N
XLogP-0.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione?
The IUPAC name of (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione (CID 122469837) is (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione?
The canonical SMILES for (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione is CO/C=C/C(=O)O.O=C1CCC(=O)N1.
What is the InChIKey of (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione?
The InChIKey is WYZDBGRXFJSYSH-ZPYUXNTASA-N. The full InChI is InChI=1S/C4H5NO2.C4H6O3/c6-3-1-2-4(7)5-3;1-7-3-2-4(5)6/h1-2H2,(H,5,6,7);2-3H,1H3,(H,5,6)/b;3-2+.
What are the key properties of (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione?
(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione has a molecular weight of 201.18 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 122469837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).