Home Nitriles 1-(cyclobutylmethyl)-5-oxopyrrolidine-3-carbonitrile

1-(cyclobutylmethyl)-5-oxopyrrolidine-3-carbonitrile

CAS No.:
1340167-38-5
Catalog Number:
AG01A0BM
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
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Product Description
Catalog Number:
AG01A0BM
Chemical Name:
1-(cyclobutylmethyl)-5-oxopyrrolidine-3-carbonitrile
CAS Number:
1340167-38-5
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD19677383
IUPAC Name:
1-(cyclobutylmethyl)-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C10H14N2O/c11-5-9-4-10(13)12(7-9)6-8-2-1-3-8/h8-9H,1-4,6-7H2
InChI Key:
CDRNDLBCZWIAQA-UHFFFAOYSA-N
SMILES:
N#CC1CC(=O)N(C1)CC1CCC1
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties