Name: Name:3-amino-1-oxo-1H,5H,10H,10aH-pyrrolo[1,2-b]isoquinoline-2-carbonitrile
Brand: Angene
SKU: AG019Q9N
Rating: 90 (10 reviews)

3-amino-1-oxo-1H,5H,10H,10aH-pyrrolo[1,2-b]isoquinoline-2-carbonitrile

CAS No.:

929974-48-1

Catalog Number:

AG019Q9N

Molecular Formula:

C13H11N3O

Molecular Weight:

225.2459

Catalog Number:

AG019Q9N

Chemical Name:

3-amino-1-oxo-1H,5H,10H,10aH-pyrrolo[1,2-b]isoquinoline-2-carbonitrile

CAS Number:

929974-48-1

Molecular Formula:

C13H11N3O

Molecular Weight:

225.2459

MDL Number:

MFCD09702221

IUPAC Name:

1-hydroxy-3-imino-10,10a-dihydro-5H-pyrrolo[1,2-b]isoquinoline-2-carbonitrile

InChI:

InChI=1S/C13H11N3O/c14-6-10-12(17)11-5-8-3-1-2-4-9(8)7-16(11)13(10)15/h1-4,11,15,17H,5,7H2

InChI Key:

PBYMAPHHIKHDAU-UHFFFAOYSA-N

SMILES:

N#CC1=C(N)N2C(C1=O)Cc1c(C2)cccc1

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.251g/mol

Monoisotopic Mass:

225.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3