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88574-81-6 | 2-Pyrrolidinecarboxamide, N-[1-(1H-tetrazol-5-yl)ethyl]-
CAS No: 88574-81-6 Catalog No: AG004BE3 MDL No:
Product Description
Catalog Number:
AG004BE3
Chemical Name:
2-Pyrrolidinecarboxamide, N-[1-(1H-tetrazol-5-yl)ethyl]-
CAS Number:
88574-81-6
Molecular Formula:
C8H14N6O
Molecular Weight:
210.2364
IUPAC Name:
N-[1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C8H14N6O/c1-5(7-11-13-14-12-7)10-8(15)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,15)(H,11,12,13,14)
InChI Key:
MGIQODZGYYXWOP-UHFFFAOYSA-N
SMILES:
O=C(C1CCCN1)NC(c1nnn[nH]1)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.241g/mol
Monoisotopic Mass:
210.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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