3-Methyl-1-phenyl-1H-pyrrole-2,5-dione - CAS 3120-04-5
Catalog: |
BB020831 |
Product Name: |
3-Methyl-1-phenyl-1H-pyrrole-2,5-dione |
CAS: |
3120-04-5 |
Synonyms: |
3-methyl-1-phenylpyrrole-2,5-dione; 3-methyl-1-phenylpyrrole-2,5-dione |
IUPAC Name: | 3-methyl-1-phenylpyrrole-2,5-dione |
Description: | 3-Methyl-1-phenyl-1H-pyrrole-2,5-dione (CAS# 3120-04-5) is a useful intermediate for the synthesis of maleimides with antifungal activities. |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | CC1=CC(=O)N(C1=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3 |
InChI Key: | QAVUFFJVZGZJMO-UHFFFAOYSA-N |
Boiling Point: | 262-264 °C (lit.) |
Density: | 1.05 g/mL at 25°C(lit.) |
MDL: | MFCD00075111 |
LogP: | 1.57110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21481593 | 20110501 | Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds | Bioorganic & medicinal chemistry |
19583260 | 20091210 | Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors | Journal of medicinal chemistry |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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