Home Nitriles 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile

2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile

CAS No.:
117067-98-8
Catalog Number:
AG01A1AR
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
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Product Description
Catalog Number:
AG01A1AR
Chemical Name:
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CAS Number:
117067-98-8
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD12964756
IUPAC Name:
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
InChI:
InChI=1S/C8H11N3/c1-11(2)8(6-9)7-4-3-5-10-7/h3-5,8,10H,1-2H3
InChI Key:
WKQHSDZQLQQWFH-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc[nH]1)N(C)C
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties