2-methyl-3H-indole;1,2,3-trimethyl-1H-indene

C21H23N — CID 162001549

IUPAC2-methyl-3H-indole;1,2,3-trimethyl-1H-indene
SMILESCC1=C(C)C(C)c2ccccc21.CC1=Nc2ccccc2C1
InChIInChI=1S/C12H14.C9H9N/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-7-6-8-4-2-3-5-9(8)10-7/h4-7,9H,1-3H3;2-5H,6H2,1H3
InChIKeyYSGZXWXBYCEJTP-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.93
Rot. Bonds

About 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene

2-methyl-3H-indole;1,2,3-trimethyl-1H-indene (PubChem CID 162001549) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene.

Molecular Properties

Compound Name2-methyl-3H-indole;1,2,3-trimethyl-1H-indene
PubChem CID162001549
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-methyl-3H-indole;1,2,3-trimethyl-1H-indene
SMILESCC1=C(C)C(C)c2ccccc21.CC1=Nc2ccccc2C1
InChIInChI=1S/C12H14.C9H9N/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-7-6-8-4-2-3-5-9(8)10-7/h4-7,9H,1-3H3;2-5H,6H2,1H3
InChIKeyYSGZXWXBYCEJTP-UHFFFAOYSA-N
XLogP5.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene?
The IUPAC name of 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene (CID 162001549) is 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene.
What is the SMILES notation for 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene?
The canonical SMILES for 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene is CC1=C(C)C(C)c2ccccc21.CC1=Nc2ccccc2C1.
What is the InChIKey of 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene?
The InChIKey is YSGZXWXBYCEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C9H9N/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-7-6-8-4-2-3-5-9(8)10-7/h4-7,9H,1-3H3;2-5H,6H2,1H3.
What are the key properties of 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene?
2-methyl-3H-indole;1,2,3-trimethyl-1H-indene has a molecular weight of 289.42 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-indole;1,2,3-trimethyl-1H-indene is sourced from PubChem (CID 162001549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).