1,4-dimethylindole

C10H11N — CID 589389

IUPAC1,4-dimethylindole
SMILESCc1cccc2c1ccn2C
InChIInChI=1S/C10H11N/c1-8-4-3-5-10-9(8)6-7-11(10)2/h3-7H,1-2H3
InChIKeyYQYZZTOIMUEGDJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.49
Rot. Bonds

About 1,4-dimethylindole

1,4-dimethylindole (PubChem CID 589389) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,4-dimethylindole.

Molecular Properties

Compound Name1,4-dimethylindole
PubChem CID589389
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1,4-dimethylindole
SMILESCc1cccc2c1ccn2C
InChIInChI=1S/C10H11N/c1-8-4-3-5-10-9(8)6-7-11(10)2/h3-7H,1-2H3
InChIKeyYQYZZTOIMUEGDJ-UHFFFAOYSA-N
XLogP2.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylindole?
The IUPAC name of 1,4-dimethylindole (CID 589389) is 1,4-dimethylindole.
What is the SMILES notation for 1,4-dimethylindole?
The canonical SMILES for 1,4-dimethylindole is Cc1cccc2c1ccn2C.
What is the InChIKey of 1,4-dimethylindole?
The InChIKey is YQYZZTOIMUEGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-4-3-5-10-9(8)6-7-11(10)2/h3-7H,1-2H3.
What are the key properties of 1,4-dimethylindole?
1,4-dimethylindole has a molecular weight of 145.20 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylindole is sourced from PubChem (CID 589389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).