2-methoxy-3H-indole

C9H9NO — CID 19940325

IUPAC2-methoxy-3H-indole
SMILESCOC1=Nc2ccccc2C1
InChIInChI=1S/C9H9NO/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-5H,6H2,1H3
InChIKeyFFVXFKBJRCSXTD-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.92
Rot. Bonds

About 2-methoxy-3H-indole

2-methoxy-3H-indole (PubChem CID 19940325) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methoxy-3H-indole.

Molecular Properties

Compound Name2-methoxy-3H-indole
PubChem CID19940325
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-methoxy-3H-indole
SMILESCOC1=Nc2ccccc2C1
InChIInChI=1S/C9H9NO/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-5H,6H2,1H3
InChIKeyFFVXFKBJRCSXTD-UHFFFAOYSA-N
XLogP1.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3H-indole?
The IUPAC name of 2-methoxy-3H-indole (CID 19940325) is 2-methoxy-3H-indole.
What is the SMILES notation for 2-methoxy-3H-indole?
The canonical SMILES for 2-methoxy-3H-indole is COC1=Nc2ccccc2C1.
What is the InChIKey of 2-methoxy-3H-indole?
The InChIKey is FFVXFKBJRCSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-5H,6H2,1H3.
What are the key properties of 2-methoxy-3H-indole?
2-methoxy-3H-indole has a molecular weight of 147.18 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3H-indole is sourced from PubChem (CID 19940325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).