2-methylprop-2-enoic acid;pyrrole-2,5-dione

C8H9NO4 — CID 19021932

IUPAC2-methylprop-2-enoic acid;pyrrole-2,5-dione
SMILESC=C(C)C(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C4H6O2/c6-3-1-2-4(7)5-3;1-3(2)4(5)6/h1-2H,(H,5,6,7);1H2,2H3,(H,5,6)
InChIKeyJREBRPXVDRANAR-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.15
Rot. Bonds1

About 2-methylprop-2-enoic acid;pyrrole-2,5-dione

2-methylprop-2-enoic acid;pyrrole-2,5-dione (PubChem CID 19021932) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;pyrrole-2,5-dione.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;pyrrole-2,5-dione
PubChem CID19021932
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-methylprop-2-enoic acid;pyrrole-2,5-dione
SMILESC=C(C)C(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C4H6O2/c6-3-1-2-4(7)5-3;1-3(2)4(5)6/h1-2H,(H,5,6,7);1H2,2H3,(H,5,6)
InChIKeyJREBRPXVDRANAR-UHFFFAOYSA-N
XLogP-0.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methylprop-2-enoic acid;pyrrole-2,5-dione?
The IUPAC name of 2-methylprop-2-enoic acid;pyrrole-2,5-dione (CID 19021932) is 2-methylprop-2-enoic acid;pyrrole-2,5-dione.
What is the SMILES notation for 2-methylprop-2-enoic acid;pyrrole-2,5-dione?
The canonical SMILES for 2-methylprop-2-enoic acid;pyrrole-2,5-dione is C=C(C)C(=O)O.O=C1C=CC(=O)N1.
What is the InChIKey of 2-methylprop-2-enoic acid;pyrrole-2,5-dione?
The InChIKey is JREBRPXVDRANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C4H6O2/c6-3-1-2-4(7)5-3;1-3(2)4(5)6/h1-2H,(H,5,6,7);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;pyrrole-2,5-dione?
2-methylprop-2-enoic acid;pyrrole-2,5-dione has a molecular weight of 183.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;pyrrole-2,5-dione is sourced from PubChem (CID 19021932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).