2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile

C14H15BrN2 — CID 154958366

IUPAC2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H15BrN2/c1-3-14(4-2,9-16)12-8-17-13-7-10(15)5-6-11(12)13/h5-8,17H,3-4H2,1-2H3
InChIKeyUJVVHULOLOHZIJ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.51
Rot. Bonds3

About 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile

2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile (PubChem CID 154958366) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile
PubChem CID154958366
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H15BrN2/c1-3-14(4-2,9-16)12-8-17-13-7-10(15)5-6-11(12)13/h5-8,17H,3-4H2,1-2H3
InChIKeyUJVVHULOLOHZIJ-UHFFFAOYSA-N
XLogP4.51
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile
CID 86668667
2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
CID 84642871
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
CID 10422893
6-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 57138871
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
5-bromo-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897891
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
6-bromo-3-isocyano-1H-indole
CID 59831783
3-bromo-4-(6-bromo-1H-indol-3-yl)-4-oxobutanoic acid
CID 79786908

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile (CID 154958366) is 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile is CCC(C#N)(CC)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile?
The InChIKey is UJVVHULOLOHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-3-14(4-2,9-16)12-8-17-13-7-10(15)5-6-11(12)13/h5-8,17H,3-4H2,1-2H3.
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile?
2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile has a molecular weight of 291.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile is sourced from PubChem (CID 154958366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).