2-methoxy-3,3-dimethylindole

C11H13NO — CID 14169702

IUPAC2-methoxy-3,3-dimethylindole
SMILESCOC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3
InChIKeyZDVHGSPFAPBBFG-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.65
Rot. Bonds

About 2-methoxy-3,3-dimethylindole

2-methoxy-3,3-dimethylindole (PubChem CID 14169702) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethylindole.

Molecular Properties

Compound Name2-methoxy-3,3-dimethylindole
PubChem CID14169702
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methoxy-3,3-dimethylindole
SMILESCOC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3
InChIKeyZDVHGSPFAPBBFG-UHFFFAOYSA-N
XLogP2.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethylindole?
The IUPAC name of 2-methoxy-3,3-dimethylindole (CID 14169702) is 2-methoxy-3,3-dimethylindole.
What is the SMILES notation for 2-methoxy-3,3-dimethylindole?
The canonical SMILES for 2-methoxy-3,3-dimethylindole is COC1=Nc2ccccc2C1(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethylindole?
The InChIKey is ZDVHGSPFAPBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3.
What are the key properties of 2-methoxy-3,3-dimethylindole?
2-methoxy-3,3-dimethylindole has a molecular weight of 175.23 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethylindole is sourced from PubChem (CID 14169702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).