Name: Name:2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile
Brand: Angene
SKU: AG01BVIB
Rating: 90 (10 reviews)

2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile

CAS No.:

42780-92-7

Catalog Number:

AG01BVIB

Molecular Formula:

C16H18N2

Molecular Weight:

238.3275

Catalog Number:

AG01BVIB

Chemical Name:

2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile

CAS Number:

42780-92-7

Molecular Formula:

C16H18N2

Molecular Weight:

238.3275

MDL Number:

MFCD16320405

IUPAC Name:

2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile

InChI:

InChI=1S/C16H18N2/c1-11-7-12(2)9-16(8-11)18-13(3)10-15(5-6-17)14(18)4/h7-10H,5H2,1-4H3

InChI Key:

DOYKUUHPBUSIAG-UHFFFAOYSA-N

SMILES:

N#CCc1cc(n(c1C)c1cc(C)cc(c1)C)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.334g/mol

Monoisotopic Mass:

238.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5