1-(Pent-4-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione - CAS 548777-18-0
Catalog: |
BB057937 |
Product Name: |
1-(Pent-4-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione |
CAS: |
548777-18-0 |
Synonyms: |
1-(4-Pentyn-1-yl)-1H-pyrrole-2,5-dione; 1-(Pent-4-yn-1-yl)-1H-pyrrole-2,5-dione |
IUPAC Name: | 1-pent-4-ynylpyrrole-2,5-dione |
Description: | 1-(pent-4-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione (cas# 548777-18-0) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C#CCCCN1C(=O)C=CC1=O |
InChI: | InChI=1S/C9H9NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h1,5-6H,3-4,7H2 |
InChI Key: | FSPVKZBWXHAPHU-UHFFFAOYSA-N |
References: | Nunes, J. P. M., et al. Chem. Commun., 51, 10624 (2015); Ourailidou, M. E., et al. Org. Biomol. Chem., 13, 3648 (2015). |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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