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918331-16-5

918331-16-5 | Pyrrolo[2,3-b]pyrrolizin-8(1H)-one, 3-(6-methoxy-3-pyridinyl)-1-methyl-

CAS No: 918331-16-5 Catalog No: AG006GCL MDL No:

Product Description

Catalog Number:
AG006GCL
Chemical Name:
Pyrrolo[2,3-b]pyrrolizin-8(1H)-one, 3-(6-methoxy-3-pyridinyl)-1-methyl-
CAS Number:
918331-16-5
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
3-(6-methoxypyridin-3-yl)-1-methylpyrrolo[2,3-b]pyrrolizin-8-one
InChI:
InChI=1S/C16H13N3O2/c1-18-9-11(10-5-6-13(21-2)17-8-10)14-15(18)16(20)12-4-3-7-19(12)14/h3-9H,1-2H3
InChI Key:
IMCVFNDNAQEIKC-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)c1cn(c2c1n1cccc1c2=O)C

Properties

Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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