ethyl prop-2-enoate;pyrrole-2,5-dione

C9H11NO4 — CID 175124341

IUPACethyl prop-2-enoate;pyrrole-2,5-dione
SMILESC=CC(=O)OCC.O=C1C=CC(=O)N1
InChIInChI=1S/C5H8O2.C4H3NO2/c1-3-5(6)7-4-2;6-3-1-2-4(7)5-3/h3H,1,4H2,2H3;1-2H,(H,5,6,7)
InChIKeyOCWDTSPYMLKXFY-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.07
Rot. Bonds2

About ethyl prop-2-enoate;pyrrole-2,5-dione

ethyl prop-2-enoate;pyrrole-2,5-dione (PubChem CID 175124341) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl prop-2-enoate;pyrrole-2,5-dione.

Molecular Properties

Compound Nameethyl prop-2-enoate;pyrrole-2,5-dione
PubChem CID175124341
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Nameethyl prop-2-enoate;pyrrole-2,5-dione
SMILESC=CC(=O)OCC.O=C1C=CC(=O)N1
InChIInChI=1S/C5H8O2.C4H3NO2/c1-3-5(6)7-4-2;6-3-1-2-4(7)5-3/h3H,1,4H2,2H3;1-2H,(H,5,6,7)
InChIKeyOCWDTSPYMLKXFY-UHFFFAOYSA-N
XLogP-0.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 ethyl prop-2-enoate;pyrrole-2,5-dione?
The IUPAC name of ethyl prop-2-enoate;pyrrole-2,5-dione (CID 175124341) is ethyl prop-2-enoate;pyrrole-2,5-dione.
What is the SMILES notation for ethyl prop-2-enoate;pyrrole-2,5-dione?
The canonical SMILES for ethyl prop-2-enoate;pyrrole-2,5-dione is C=CC(=O)OCC.O=C1C=CC(=O)N1.
What is the InChIKey of ethyl prop-2-enoate;pyrrole-2,5-dione?
The InChIKey is OCWDTSPYMLKXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H3NO2/c1-3-5(6)7-4-2;6-3-1-2-4(7)5-3/h3H,1,4H2,2H3;1-2H,(H,5,6,7).
What are the key properties of ethyl prop-2-enoate;pyrrole-2,5-dione?
ethyl prop-2-enoate;pyrrole-2,5-dione has a molecular weight of 197.19 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;pyrrole-2,5-dione is sourced from PubChem (CID 175124341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).