Home Nitriles 4-(pyrrolidin-1-yl)oxane-4-carbonitrile

4-(pyrrolidin-1-yl)oxane-4-carbonitrile

CAS No.:
112799-20-9
Catalog Number:
AG01AF8M
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
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Product Description
Catalog Number:
AG01AF8M
Chemical Name:
4-(pyrrolidin-1-yl)oxane-4-carbonitrile
CAS Number:
112799-20-9
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD12064552
IUPAC Name:
4-pyrrolidin-1-yloxane-4-carbonitrile
InChI:
InChI=1S/C10H16N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-8H2
InChI Key:
HCBNNXSNPDALJJ-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)N1CCCC1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties