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Home > Indoles and Oxindole > 1306606-13-2
1306606-13-2 | octahydro-1H-indole-3-carboxamide
CAS No: 1306606-13-2 Catalog No: AG01AIFD MDL No:MFCD18839045
Product Description
Catalog Number:
AG01AIFD
Chemical Name:
octahydro-1H-indole-3-carboxamide
CAS Number:
1306606-13-2
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
MDL Number:
MFCD18839045
IUPAC Name:
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide
InChI:
InChI=1S/C9H16N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h6-8,11H,1-5H2,(H2,10,12)
InChI Key:
NXLRMAOYYSTDFK-UHFFFAOYSA-N
SMILES:
NC(=O)C1CNC2C1CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Chemistry and biology of the aeruginosin family of serine protease inhibitors. | Angewandte Chemie (International ed. in English) 20080101 |
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