Name: Name:1H-Indole-2-propanenitrile, 3-methyl-β-oxo-
Brand: Angene
SKU: AG001GHF
Rating: 90 (10 reviews)

1H-Indole-2-propanenitrile, 3-methyl-β-oxo-

CAS No.:

1414944-13-0

Catalog Number:

AG001GHF

Molecular Formula:

C12H10N2O

Molecular Weight:

198.2206

Catalog Number:

AG001GHF

Chemical Name:

1H-Indole-2-propanenitrile, 3-methyl-β-oxo-

CAS Number:

1414944-13-0

Molecular Formula:

C12H10N2O

Molecular Weight:

198.2206

MDL Number:

MFCD30530595

IUPAC Name:

3-(3-methyl-1H-indol-2-yl)-3-oxopropanenitrile

InChI:

InChI=1S/C12H10N2O/c1-8-9-4-2-3-5-10(9)14-12(8)11(15)6-7-13/h2-5,14H,6H2,1H3

InChI Key:

IXNFXCYLMFKEHP-UHFFFAOYSA-N

SMILES:

N#CCC(=O)c1[nH]c2c(c1C)cccc2

Complexity:

304

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.225g/mol

Monoisotopic Mass:

198.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3