1,6,7-trimethylindole-3-carbonitrile

C12H12N2 — CID 82490741

IUPAC1,6,7-trimethylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)cn(C)c2c1C
InChIInChI=1S/C12H12N2/c1-8-4-5-11-10(6-13)7-14(3)12(11)9(8)2/h4-5,7H,1-3H3
InChIKeyMZMUIICSVLJNRT-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.67
Rot. Bonds

About 1,6,7-trimethylindole-3-carbonitrile

1,6,7-trimethylindole-3-carbonitrile (PubChem CID 82490741) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,6,7-trimethylindole-3-carbonitrile.

Molecular Properties

Compound Name1,6,7-trimethylindole-3-carbonitrile
PubChem CID82490741
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1,6,7-trimethylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)cn(C)c2c1C
InChIInChI=1S/C12H12N2/c1-8-4-5-11-10(6-13)7-14(3)12(11)9(8)2/h4-5,7H,1-3H3
InChIKeyMZMUIICSVLJNRT-UHFFFAOYSA-N
XLogP2.67
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,6,7-trimethylindol-3-yl)propan-2-amine
CID 83486241
ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate
CID 66487502
2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
CID 82268977
6-amino-1-methylindole-3-carbonitrile
CID 59335124
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
CID 82497738
2-(bromomethyl)-3,4-dimethylbenzonitrile
CID 171013334
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
1,6,7-trimethylbenzimidazole
CID 83449271
7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
CID 84669511
1,3-dimethyl-5-pyrimidin-4-ylindole-7-carbonitrile
CID 153487622
2-(aminomethyl)-1-methylpyrrole-3-carbonitrile
CID 23301351
2-formyl-3,4-dimethylbenzonitrile
CID 89039539

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethylindole-3-carbonitrile?
The IUPAC name of 1,6,7-trimethylindole-3-carbonitrile (CID 82490741) is 1,6,7-trimethylindole-3-carbonitrile.
What is the SMILES notation for 1,6,7-trimethylindole-3-carbonitrile?
The canonical SMILES for 1,6,7-trimethylindole-3-carbonitrile is Cc1ccc2c(C#N)cn(C)c2c1C.
What is the InChIKey of 1,6,7-trimethylindole-3-carbonitrile?
The InChIKey is MZMUIICSVLJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-8-4-5-11-10(6-13)7-14(3)12(11)9(8)2/h4-5,7H,1-3H3.
What are the key properties of 1,6,7-trimethylindole-3-carbonitrile?
1,6,7-trimethylindole-3-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylindole-3-carbonitrile is sourced from PubChem (CID 82490741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).