Home Nitriles 1-ethyl-5-oxopyrrolidine-3-carbonitrile

1-ethyl-5-oxopyrrolidine-3-carbonitrile

CAS No.:
1343491-22-4
Catalog Number:
AG01AM1X
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
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Product Description
Catalog Number:
AG01AM1X
Chemical Name:
1-ethyl-5-oxopyrrolidine-3-carbonitrile
CAS Number:
1343491-22-4
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD19677368
IUPAC Name:
1-ethyl-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C7H10N2O/c1-2-9-5-6(4-8)3-7(9)10/h6H,2-3,5H2,1H3
InChI Key:
FBBKFWRDUVAESH-UHFFFAOYSA-N
SMILES:
CCN1CC(CC1=O)C#N
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties