3-(cyclohexen-1-yl)-1,2-dimethylindole

C16H19N — CID 15619846

IUPAC3-(cyclohexen-1-yl)-1,2-dimethylindole
SMILESCc1c(C2=CCCCC2)c2ccccc2n1C
InChIInChI=1S/C16H19N/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(12)2/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyMSVMOCJLLRZSSM-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.44
Rot. Bonds1

About 3-(cyclohexen-1-yl)-1,2-dimethylindole

3-(cyclohexen-1-yl)-1,2-dimethylindole (PubChem CID 15619846) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1,2-dimethylindole.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1,2-dimethylindole
PubChem CID15619846
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name3-(cyclohexen-1-yl)-1,2-dimethylindole
SMILESCc1c(C2=CCCCC2)c2ccccc2n1C
InChIInChI=1S/C16H19N/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(12)2/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyMSVMOCJLLRZSSM-UHFFFAOYSA-N
XLogP4.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
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3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole
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[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
3-iodo-1,2-dimethylindole
CID 19093282
4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1,2-dimethylindole?
The IUPAC name of 3-(cyclohexen-1-yl)-1,2-dimethylindole (CID 15619846) is 3-(cyclohexen-1-yl)-1,2-dimethylindole.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1,2-dimethylindole?
The canonical SMILES for 3-(cyclohexen-1-yl)-1,2-dimethylindole is Cc1c(C2=CCCCC2)c2ccccc2n1C.
What is the InChIKey of 3-(cyclohexen-1-yl)-1,2-dimethylindole?
The InChIKey is MSVMOCJLLRZSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(12)2/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 3-(cyclohexen-1-yl)-1,2-dimethylindole?
3-(cyclohexen-1-yl)-1,2-dimethylindole has a molecular weight of 225.34 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1,2-dimethylindole is sourced from PubChem (CID 15619846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).