3-(7-chloroindol-1-yl)-2-methylpropanenitrile

C12H11ClN2 — CID 83968673

IUPAC3-(7-chloroindol-1-yl)-2-methylpropanenitrile
SMILESCC(C#N)Cn1ccc2cccc(Cl)c21
InChIInChI=1S/C12H11ClN2/c1-9(7-14)8-15-6-5-10-3-2-4-11(13)12(10)15/h2-6,9H,8H2,1H3
InChIKeyKIERNIMRAUPTAK-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.45
Rot. Bonds2

About 3-(7-chloroindol-1-yl)-2-methylpropanenitrile

3-(7-chloroindol-1-yl)-2-methylpropanenitrile (PubChem CID 83968673) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 3-(7-chloroindol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(7-chloroindol-1-yl)-2-methylpropanenitrile
PubChem CID83968673
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name3-(7-chloroindol-1-yl)-2-methylpropanenitrile
SMILESCC(C#N)Cn1ccc2cccc(Cl)c21
InChIInChI=1S/C12H11ClN2/c1-9(7-14)8-15-6-5-10-3-2-4-11(13)12(10)15/h2-6,9H,8H2,1H3
InChIKeyKIERNIMRAUPTAK-UHFFFAOYSA-N
XLogP3.45
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-(2-methoxyethyl)indole
CID 103474736
5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 103475272
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
7-chloro-1-(3-methylbut-2-enyl)indole
CID 103474747
7-chloro-1-(ethoxymethyl)indole
CID 103474866
7-chloro-1-(2-methylprop-2-enyl)indole
CID 103474876
7-chloro-1-decylindole
CID 103474775
potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
CID 103474693
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891
2-(7-chloroindol-1-yl)-N,N-diethylethanamine
CID 103475461
2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
CID 103474789
2-(7-chloroindol-1-yl)-N-ethylethanamine
CID 103474607

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroindol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(7-chloroindol-1-yl)-2-methylpropanenitrile (CID 83968673) is 3-(7-chloroindol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(7-chloroindol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(7-chloroindol-1-yl)-2-methylpropanenitrile is CC(C#N)Cn1ccc2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloroindol-1-yl)-2-methylpropanenitrile?
The InChIKey is KIERNIMRAUPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9(7-14)8-15-6-5-10-3-2-4-11(13)12(10)15/h2-6,9H,8H2,1H3.
What are the key properties of 3-(7-chloroindol-1-yl)-2-methylpropanenitrile?
3-(7-chloroindol-1-yl)-2-methylpropanenitrile has a molecular weight of 218.69 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroindol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 83968673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).