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922184-70-1 | Pyrrolo[2,3-b]indole-3-carbonitrile, 1,8-dihydro-2,8-dimethyl-1-propyl-
CAS No: 922184-70-1 Catalog No: AG006F1Y MDL No:
Product Description
Catalog Number:
AG006F1Y
Chemical Name:
Pyrrolo[2,3-b]indole-3-carbonitrile, 1,8-dihydro-2,8-dimethyl-1-propyl-
CAS Number:
922184-70-1
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
2,4-dimethyl-3-propylpyrrolo[2,3-b]indole-1-carbonitrile
InChI:
InChI=1S/C16H17N3/c1-4-9-19-11(2)13(10-17)15-12-7-5-6-8-14(12)18(3)16(15)19/h5-8H,4,9H2,1-3H3
InChI Key:
CROKATLVICEVGL-UHFFFAOYSA-N
SMILES:
CCCn1c2c(c(c1C)C#N)c1c(n2C)cccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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