Name: Name:1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrole-3-carbonitrile
Brand: Angene
SKU: AG003DWB
Rating: 90 (10 reviews)

1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrole-3-carbonitrile

CAS No.:

590374-61-1

Catalog Number:

AG003DWB

Molecular Formula:

C7H7N3O2

Molecular Weight:

165.1494

Catalog Number:

AG003DWB

Chemical Name:

1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrole-3-carbonitrile

CAS Number:

590374-61-1

Molecular Formula:

C7H7N3O2

Molecular Weight:

165.1494

MDL Number:

MFCD18810267

IUPAC Name:

1-acetyl-3-hydroxy-5-imino-2H-pyrrole-4-carbonitrile

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

SMILES:

N#CC1=C(N)N(CC1=O)C(=O)C

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.152g/mol

Monoisotopic Mass:

165.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5