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Home > Indoles and Oxindole > 21018-89-3
21018-89-3 | Pyrrolo[2,3-b]indole-2-carboxamide, 1-acetyl-1,2,3,8-tetrahydro-, (S)- (9CI)
CAS No: 21018-89-3 Catalog No: AG002KMF MDL No:
Product Description
Catalog Number:
AG002KMF
Chemical Name:
Pyrrolo[2,3-b]indole-2-carboxamide, 1-acetyl-1,2,3,8-tetrahydro-, (S)- (9CI)
CAS Number:
21018-89-3
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
(2S)-3-acetyl-2,4-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxamide
InChI:
InChI=1S/C13H13N3O2/c1-7(17)16-11(12(14)18)6-9-8-4-2-3-5-10(8)15-13(9)16/h2-5,11,15H,6H2,1H3,(H2,14,18)/t11-/m0/s1
InChI Key:
VWBUXEPQZBYXBG-NSHDSACASA-N
SMILES:
NC(=O)[C@@H]1Cc2c(N1C(=O)C)[nH]c1c2cccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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