(7R,7aS)-4-(7-Hydroxy-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl)-2-methylbenzofuran-7-carbonitrile

HCID 59754352
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Basic information

Standard SMILES
Cc1cc2c(N3C(=O)[C@@H]4[C@H](O)CCN4C3=O)ccc(C#N)c2o1
InChIKey
MZNJHADZSPJNBF-OLZOCXBDSA-N
Molecular formula
C16H13N3O4
Average molar mass
311.29 g/mol

Names & identifiers

Preferred name
(7R,7aS)-4-(7-Hydroxy-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl)-2-methylbenzofuran-7-carbonitrile
IUPAC
4-[(7R,7aS)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-methyl-1-benzofuran-7-carbonitrile

Names & synonyms

SCHEMBL2955013MZNJHADZSPJNBF-OLZOCXBDSA-N(7R,7aS)-4-(7-Hydroxy-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl)-2-methylbenzofuran-7-carbonitrile

Database identifiers

PubChem CID
59754352

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
97.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
23

Related reactions

2 records
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Compound notes

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