2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile

C14H15ClN2 — CID 82268977

IUPAC2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
SMILESCCCn1c(Cl)c(C#N)c2ccc(C)c(C)c21
InChIInChI=1S/C14H15ClN2/c1-4-7-17-13-10(3)9(2)5-6-11(13)12(8-16)14(17)15/h5-6H,4,7H2,1-3H3
InChIKeyAGEFEKGNALDFLD-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.19
Rot. Bonds2

About 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile

2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile (PubChem CID 82268977) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
PubChem CID82268977
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
SMILESCCCn1c(Cl)c(C#N)c2ccc(C)c(C)c21
InChIInChI=1S/C14H15ClN2/c1-4-7-17-13-10(3)9(2)5-6-11(13)12(8-16)14(17)15/h5-6H,4,7H2,1-3H3
InChIKeyAGEFEKGNALDFLD-UHFFFAOYSA-N
XLogP4.19
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652
1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
CID 82268978
2-chloro-5-ethyl-1-propylindole-3-carbonitrile
CID 82268545
1,6,7-trimethylindole-3-carbonitrile
CID 82490741
2-chloro-1-ethyl-6,7-dimethylindole-3-carboxylic acid
CID 82268967
2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
2-chloro-7-fluoro-1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82269302
2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
CID 82268701
2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620
2-chloro-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 59426450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile?
The IUPAC name of 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile (CID 82268977) is 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile is CCCn1c(Cl)c(C#N)c2ccc(C)c(C)c21.
What is the InChIKey of 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile?
The InChIKey is AGEFEKGNALDFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-4-7-17-13-10(3)9(2)5-6-11(13)12(8-16)14(17)15/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile?
2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile has a molecular weight of 246.74 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile is sourced from PubChem (CID 82268977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).