7-methyl-6H-indole

C9H9N — CID 97295156

IUPAC7-methyl-6H-indole
SMILESCC1=C2N=CC=C2C=CC1
InChIInChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2,4-6H,3H2,1H3
InChIKeyLTPMITNWSAIEIF-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.23
Rot. Bonds

About 7-methyl-6H-indole

7-methyl-6H-indole (PubChem CID 97295156) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 7-methyl-6H-indole.

Molecular Properties

Compound Name7-methyl-6H-indole
PubChem CID97295156
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name7-methyl-6H-indole
SMILESCC1=C2N=CC=C2C=CC1
InChIInChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2,4-6H,3H2,1H3
InChIKeyLTPMITNWSAIEIF-UHFFFAOYSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6H-indole?
The IUPAC name of 7-methyl-6H-indole (CID 97295156) is 7-methyl-6H-indole.
What is the SMILES notation for 7-methyl-6H-indole?
The canonical SMILES for 7-methyl-6H-indole is CC1=C2N=CC=C2C=CC1.
What is the InChIKey of 7-methyl-6H-indole?
The InChIKey is LTPMITNWSAIEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2,4-6H,3H2,1H3.
What are the key properties of 7-methyl-6H-indole?
7-methyl-6H-indole has a molecular weight of 131.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6H-indole is sourced from PubChem (CID 97295156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).