Home Other Building Blocks 1-METHYL-5-OXOPYRROLIDINE-3-CARBONITRILE

1-METHYL-5-OXOPYRROLIDINE-3-CARBONITRILE

CAS No.:
172261-37-9
Catalog Number:
AG003EIC
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG003EIC
Chemical Name:
1-METHYL-5-OXOPYRROLIDINE-3-CARBONITRILE
CAS Number:
172261-37-9
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD18819188
IUPAC Name:
1-methyl-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C6H8N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2,4H2,1H3
InChI Key:
BJKKPDLNTVOVON-UHFFFAOYSA-N
SMILES:
N#CC1CC(=O)N(C1)C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties