benzene;2-methyl-1H-indole

C15H15N — CID 158804583

IUPACbenzene;2-methyl-1H-indole
SMILESCc1cc2ccccc2[nH]1.c1ccccc1
InChIInChI=1S/C9H9N.C6H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2-4-6-5-3-1/h2-6,10H,1H3;1-6H
InChIKeyITXKDOWXUMCOFW-UHFFFAOYSA-N
MW209.29 g/mol
LogP4.16
Rot. Bonds

About benzene;2-methyl-1H-indole

benzene;2-methyl-1H-indole (PubChem CID 158804583) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is benzene;2-methyl-1H-indole.

Molecular Properties

Compound Namebenzene;2-methyl-1H-indole
PubChem CID158804583
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Namebenzene;2-methyl-1H-indole
SMILESCc1cc2ccccc2[nH]1.c1ccccc1
InChIInChI=1S/C9H9N.C6H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2-4-6-5-3-1/h2-6,10H,1H3;1-6H
InChIKeyITXKDOWXUMCOFW-UHFFFAOYSA-N
XLogP4.16
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1H-indole;hydrofluoride
CID 163912177
2-methyl-1H-indole;oxalic acid
CID 161360574
methane;2-methyl-1H-indole;1,2,3,5-tetramethylbenzene
CID 159710668
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
acetylene;(E)-2-ethoxybut-2-ene;2-methyl-1H-indole
CID 143057697
ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen
CID 142259114
ethane;1H-indole-2-carboxylic acid
CID 91052830
2-bromo-1H-indole
CID 11805631
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
bis(1H-indol-2-yl)phosphane
CID 151093221
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835

Frequently Asked Questions

What is the IUPAC name of benzene;2-methyl-1H-indole?
The IUPAC name of benzene;2-methyl-1H-indole (CID 158804583) is benzene;2-methyl-1H-indole.
What is the SMILES notation for benzene;2-methyl-1H-indole?
The canonical SMILES for benzene;2-methyl-1H-indole is Cc1cc2ccccc2[nH]1.c1ccccc1.
What is the InChIKey of benzene;2-methyl-1H-indole?
The InChIKey is ITXKDOWXUMCOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C6H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2-4-6-5-3-1/h2-6,10H,1H3;1-6H.
What are the key properties of benzene;2-methyl-1H-indole?
benzene;2-methyl-1H-indole has a molecular weight of 209.29 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-methyl-1H-indole is sourced from PubChem (CID 158804583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).