Name: Name:2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
Brand: Angene
SKU: AG019KED
Rating: 90 (10 reviews)

2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS No.:

929974-41-4

Catalog Number:

AG019KED

Molecular Formula:

C13H13N3O

Molecular Weight:

227.2618

Catalog Number:

AG019KED

Chemical Name:

2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS Number:

929974-41-4

Molecular Formula:

C13H13N3O

Molecular Weight:

227.2618

MDL Number:

MFCD08729224

IUPAC Name:

2-amino-1-(4-hydroxyphenyl)-4,5-dimethylpyrrole-3-carbonitrile

InChI:

InChI=1S/C13H13N3O/c1-8-9(2)16(13(15)12(8)7-14)10-3-5-11(17)6-4-10/h3-6,17H,15H2,1-2H3

InChI Key:

ORLWWXAAGUIXEC-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)n(c(c1C)C)c1ccc(cc1)O

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.267g/mol

Monoisotopic Mass:

227.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7