prop-2-enoic acid;bis(pyrrole-2,5-dione)

C11H10N2O6 — CID 67853429

IUPACprop-2-enoic acid;bis(pyrrole-2,5-dione)
SMILESC=CC(=O)O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.C3H4O2/c2*6-3-1-2-4(7)5-3;1-2-3(4)5/h2*1-2H,(H,5,6,7);2H,1H2,(H,4,5)
InChIKeyJQEGHVBEMVUIMQ-UHFFFAOYSA-N
MW266.21 g/mol
LogP-1.35
Rot. Bonds1

About prop-2-enoic acid;bis(pyrrole-2,5-dione)

prop-2-enoic acid;bis(pyrrole-2,5-dione) (PubChem CID 67853429) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is prop-2-enoic acid;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Nameprop-2-enoic acid;bis(pyrrole-2,5-dione)
PubChem CID67853429
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Nameprop-2-enoic acid;bis(pyrrole-2,5-dione)
SMILESC=CC(=O)O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.C3H4O2/c2*6-3-1-2-4(7)5-3;1-2-3(4)5/h2*1-2H,(H,5,6,7);2H,1H2,(H,4,5)
InChIKeyJQEGHVBEMVUIMQ-UHFFFAOYSA-N
XLogP-1.35
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 prop-2-enoic acid;bis(pyrrole-2,5-dione)?
The IUPAC name of prop-2-enoic acid;bis(pyrrole-2,5-dione) (CID 67853429) is prop-2-enoic acid;bis(pyrrole-2,5-dione).
What is the SMILES notation for prop-2-enoic acid;bis(pyrrole-2,5-dione)?
The canonical SMILES for prop-2-enoic acid;bis(pyrrole-2,5-dione) is C=CC(=O)O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of prop-2-enoic acid;bis(pyrrole-2,5-dione)?
The InChIKey is JQEGHVBEMVUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO2.C3H4O2/c2*6-3-1-2-4(7)5-3;1-2-3(4)5/h2*1-2H,(H,5,6,7);2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;bis(pyrrole-2,5-dione)?
prop-2-enoic acid;bis(pyrrole-2,5-dione) has a molecular weight of 266.21 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 67853429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).