Name: Name:1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI)
Brand: Angene
SKU: AG00B2W5
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI)

CAS No.:

145162-36-3

Catalog Number:

AG00B2W5

Molecular Formula:

C9H11N3O2

Molecular Weight:

193.2025

Catalog Number:

AG00B2W5

Chemical Name:

1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI)

CAS Number:

145162-36-3

Molecular Formula:

C9H11N3O2

Molecular Weight:

193.2025

MDL Number:

MFCD00848466

IUPAC Name:

ethyl 3-amino-4-cyano-1-methylpyrrole-2-carboxylate

InChI:

InChI=1S/C9H11N3O2/c1-3-14-9(13)8-7(11)6(4-10)5-12(8)2/h5H,3,11H2,1-2H3

InChI Key:

LXXYJUNJQOUNHJ-UHFFFAOYSA-N

SMILES:

Cn1cc(c(c1C(=O)OCC)N)C#N

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.206g/mol

Monoisotopic Mass:

193.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8