1-Benzyl-1H-pyrrol-2(5H)-one - CAS 64330-46-7
Catalog: |
BB032440 |
Product Name: |
1-Benzyl-1H-pyrrol-2(5H)-one |
CAS: |
64330-46-7 |
Synonyms: |
1-(phenylmethyl)-2H-pyrrol-5-one; 1-benzyl-2H-pyrrol-5-one |
IUPAC Name: | 1-benzyl-2H-pyrrol-5-one |
Description: | 1-Benzyl-1H-pyrrol-2(5H)-one (CAS# 64330-46-7) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C11H11NO |
Canonical SMILES: | C1C=CC(=O)N1CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H11NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-7H,8-9H2 |
InChI Key: | VUXSCAICDRDVQG-UHFFFAOYSA-N |
LogP: | 1.52290 |
Publication Number | Title | Priority Date |
US-10781172-B2 | Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles | 20180621 |
CN-110062753-A | Antiviral compound | 20160913 |
US-9944613-B2 | Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same | 20150811 |
AU-2015242291-A1 | Bicyclic-fused heteroaryl or aryl compounds and their use as IRAK4 inhibitors | 20140404 |
AU-2015242291-B2 | Bicyclic-fused heteroaryl or aryl compounds and their use as IRAK4 inhibitors | 20140404 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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