Name: Name:tert-butyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate
Brand: Angene
SKU: AG01BCQB
Rating: 90 (10 reviews)

tert-butyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate

CAS No.:

1803581-55-6

Catalog Number:

AG01BCQB

Molecular Formula:

C11H15N3O2

Molecular Weight:

221.2557

Catalog Number:

AG01BCQB

Chemical Name:

tert-butyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate

CAS Number:

1803581-55-6

Molecular Formula:

C11H15N3O2

Molecular Weight:

221.2557

MDL Number:

MFCD28012270

IUPAC Name:

tert-butyl 3-amino-4-cyano-1-methylpyrrole-2-carboxylate

InChI:

InChI=1S/C11H15N3O2/c1-11(2,3)16-10(15)9-8(13)7(5-12)6-14(9)4/h6H,13H2,1-4H3

InChI Key:

CMFITGOATMDDIT-UHFFFAOYSA-N

SMILES:

N#Cc1cn(c(c1N)C(=O)OC(C)(C)C)C

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.26g/mol

Monoisotopic Mass:

221.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4