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113466-82-3,MFCD24452749
Catalog No.:AA0008MB
113466-82-3 | 5-(Azidomethyl)pyrrolidin-2-one
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Technical Information
Catalog Number:
AA0008MB
Chemical Name:
5-(Azidomethyl)pyrrolidin-2-one
CAS Number:
113466-82-3
Molecular Formula:
C5H8N4O
Molecular Weight:
140.1432
MDL Number:
MFCD24452749
IUPAC Name:
5-(azidomethyl)pyrrolidin-2-one
InChI:
InChI=1S/C5H8N4O/c6-9-7-3-4-1-2-5(10)8-4/h4H,1-3H2,(H,8,10)
InChI Key:
OAVJCEIEHVAIIV-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC1CCC(=O)N1
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.07g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.146g/mol
Monoisotopic Mass:
140.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
5-(azidomethyl)pyrrolidin-2-one 
113466-82-3 
AKOS026677452 
F1907-0961 
CID10558695 
2-Pyrrolidinone, 5-(azidomethyl)- 
2-Pyrrolidinone, 5-(azidomethyl)-, (5S)- 
ACMC-20mib1 
ACMC-20n4iv 
SCHEMBL15552927 
CTK0G1229 
OAVJCEIEHVAIIV-UHFFFAOYSA-N 
145414-30-8 
Literature
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