1-Acetyl-2-amino-4-oxo-4,5-dihydropyrrole-3-carbonitrile - CAS 590374-61-1
Catalog: |
BB030248 |
Product Name: |
1-Acetyl-2-amino-4-oxo-4,5-dihydropyrrole-3-carbonitrile |
CAS: |
590374-61-1 |
Synonyms: |
1-acetyl-3-hydroxy-5-imino-2H-pyrrole-4-carbonitrile; 1-acetyl-3-hydroxy-5-imino-2H-pyrrole-4-carbonitrile |
IUPAC Name: | 1-acetyl-3-hydroxy-5-imino-2H-pyrrole-4-carbonitrile |
Description: | 1-Acetyl-2-amino-4-oxo-4,5-dihydropyrrole-3-carbonitrile (CAS# 590374-61-1) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C7H7N3O2 |
Canonical SMILES: | CC(=O)N1CC(=C(C1=N)C#N)O |
InChI: | InChI=1S/C7H7N3O2/c1-4(11)10-3-6(12)5(2-8)7(10)9/h9,12H,3H2,1H3 |
InChI Key: | XGMZVERPNMZANJ-UHFFFAOYSA-N |
LogP: | -0.25032 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 88.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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