5-methoxy-1H-indole

C9H9NO — CID 13872

IUPAC5-methoxy-1H-indole
SMILESCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKeyDWAQDRSOVMLGRQ-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.18
Rot. Bonds1

About 5-methoxy-1H-indole

5-methoxy-1H-indole (PubChem CID 13872) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methoxy-1H-indole.

Molecular Properties

Compound Name5-methoxy-1H-indole
PubChem CID13872
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-methoxy-1H-indole
SMILESCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKeyDWAQDRSOVMLGRQ-UHFFFAOYSA-N
XLogP2.18
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-indole?
The IUPAC name of 5-methoxy-1H-indole (CID 13872) is 5-methoxy-1H-indole.
What is the SMILES notation for 5-methoxy-1H-indole?
The canonical SMILES for 5-methoxy-1H-indole is COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-methoxy-1H-indole?
The InChIKey is DWAQDRSOVMLGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3.
What are the key properties of 5-methoxy-1H-indole?
5-methoxy-1H-indole has a molecular weight of 147.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-indole is sourced from PubChem (CID 13872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).