Name: Name:1H-indole-3-propiononitrile
Brand: Angene
SKU: AG00DXDR
Rating: 90 (10 reviews)

1H-indole-3-propiononitrile

CAS No.:

4414-76-0

Catalog Number:

AG00DXDR

Molecular Formula:

C11H10N2

Molecular Weight:

170.2105

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Product Description

Catalog Number:

AG00DXDR

Chemical Name:

1H-indole-3-propiononitrile

CAS Number:

4414-76-0

Molecular Formula:

C11H10N2

Molecular Weight:

170.2105

MDL Number:

MFCD00022776

IUPAC Name:

3-(1H-indol-3-yl)propanenitrile

InChI:

InChI=1S/C11H10N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4H2

InChI Key:

QZBSQJAILQLCJF-UHFFFAOYSA-N

SMILES:

N#CCCc1c[nH]c2c1cccc2

EC Number:

224-572-8

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.215g/mol

Monoisotopic Mass:

170.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.	Journal of medicinal chemistry 20110811
2-(1H-indol-3-ylcarbon-yl)acetonitrile.	Acta crystallographica. Section E, Structure reports online 20090301

Properties