Home Other Building Blocks 5-cyano-1H-pyrrole-3-carboxamide

5-cyano-1H-pyrrole-3-carboxamide

CAS No.:
1443980-87-7
Catalog Number:
AG01A3I4
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
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Product Description
Catalog Number:
AG01A3I4
Chemical Name:
5-cyano-1H-pyrrole-3-carboxamide
CAS Number:
1443980-87-7
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD24842743
IUPAC Name:
5-cyano-1H-pyrrole-3-carboxamide
InChI:
InChI=1S/C6H5N3O/c7-2-5-1-4(3-9-5)6(8)10/h1,3,9H,(H2,8,10)
InChI Key:
DBVKHMOMATWFSQ-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]cc(c1)C(=O)N
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties