2,4-dimethyl-1H-indole

C10H11N — CID 10997169

IUPAC2,4-dimethyl-1H-indole
SMILESCc1cc2c(C)cccc2[nH]1
InChIInChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,11H,1-2H3
InChIKeyYBUMNVFXMLIKDZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.78
Rot. Bonds

About 2,4-dimethyl-1H-indole

2,4-dimethyl-1H-indole (PubChem CID 10997169) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,4-dimethyl-1H-indole.

Molecular Properties

Compound Name2,4-dimethyl-1H-indole
PubChem CID10997169
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2,4-dimethyl-1H-indole
SMILESCc1cc2c(C)cccc2[nH]1
InChIInChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,11H,1-2H3
InChIKeyYBUMNVFXMLIKDZ-UHFFFAOYSA-N
XLogP2.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
7H-Dibenzo(c,g)carbazole
CID 9134
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1H-indole?
The IUPAC name of 2,4-dimethyl-1H-indole (CID 10997169) is 2,4-dimethyl-1H-indole.
What is the SMILES notation for 2,4-dimethyl-1H-indole?
The canonical SMILES for 2,4-dimethyl-1H-indole is Cc1cc2c(C)cccc2[nH]1.
What is the InChIKey of 2,4-dimethyl-1H-indole?
The InChIKey is YBUMNVFXMLIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,11H,1-2H3.
What are the key properties of 2,4-dimethyl-1H-indole?
2,4-dimethyl-1H-indole has a molecular weight of 145.20 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-indole is sourced from PubChem (CID 10997169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).