3,5-dimethyl-1H-indole

C20H22N2 — CID 142943492

IUPAC3,5-dimethyl-1H-indole
SMILESCc1ccc2[nH]cc(C)c2c1.Cc1ccc2[nH]cc(C)c2c1
InChIInChI=1S/2C10H11N/c2*1-7-3-4-10-9(5-7)8(2)6-11-10/h2*3-6,11H,1-2H3
InChIKeyZSZHEHHBIFICSD-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.57
Rot. Bonds

About 3,5-dimethyl-1H-indole

3,5-dimethyl-1H-indole (PubChem CID 142943492) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3,5-dimethyl-1H-indole.

Molecular Properties

Compound Name3,5-dimethyl-1H-indole
PubChem CID142943492
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3,5-dimethyl-1H-indole
SMILESCc1ccc2[nH]cc(C)c2c1.Cc1ccc2[nH]cc(C)c2c1
InChIInChI=1S/2C10H11N/c2*1-7-3-4-10-9(5-7)8(2)6-11-10/h2*3-6,11H,1-2H3
InChIKeyZSZHEHHBIFICSD-UHFFFAOYSA-N
XLogP5.57
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

CID 170793017
CID 170793017
5-ethoxy-3-methyl-1H-indole
CID 82490542
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
4-methylbenzenethiol;3-methyl-1H-indole-5-carbonitrile
CID 142472360
3-methyl-5-phenoxy-1H-indole
CID 82494590
3,6-dimethyl-9H-carbazole
CID 144942624
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
N'-hydroxy-5-methyl-1H-indole-3-carboximidamide
CID 135742377
[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996502
6-methyl-1H-quinoline-4-thione
CID 12621648
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
3-methyl-1H-indol-5-amine;1-methylpyrrolidine
CID 143475941

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-indole?
The IUPAC name of 3,5-dimethyl-1H-indole (CID 142943492) is 3,5-dimethyl-1H-indole.
What is the SMILES notation for 3,5-dimethyl-1H-indole?
The canonical SMILES for 3,5-dimethyl-1H-indole is Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2[nH]cc(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1H-indole?
The InChIKey is ZSZHEHHBIFICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11N/c2*1-7-3-4-10-9(5-7)8(2)6-11-10/h2*3-6,11H,1-2H3.
What are the key properties of 3,5-dimethyl-1H-indole?
3,5-dimethyl-1H-indole has a molecular weight of 290.41 g/mol, XLogP of 5.57, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-indole is sourced from PubChem (CID 142943492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).