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Home > Indoles and Oxindole > 90158-18-2
90158-18-2 | Pyrrolo[2,3-b]indole, 1,2,3,3a,8,8a-hexahydro-1,3a-dimethyl-
CAS No: 90158-18-2 Catalog No: AG00H6IN MDL No:
Product Description
Catalog Number:
AG00H6IN
Chemical Name:
Pyrrolo[2,3-b]indole, 1,2,3,3a,8,8a-hexahydro-1,3a-dimethyl-
CAS Number:
90158-18-2
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
IUPAC Name:
3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
InChI:
InChI=1S/C12H16N2/c1-12-7-8-14(2)11(12)13-10-6-4-3-5-9(10)12/h3-6,11,13H,7-8H2,1-2H3
InChI Key:
ZMRXCEQBVUQGLX-UHFFFAOYSA-N
SMILES:
CN1CCC2(C1Nc1c2cccc1)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Determination of the absolute configurations of flexible molecules: synthesis and theoretical simulation of electronic circular dichroism/optical rotation of some pyrrolo[2,3-b]indoline alkaloids--a case study. | Chirality 20070601 |
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