2-(methoxymethylidene)indole

C10H9NO — CID 175550272

IUPAC2-(methoxymethylidene)indole
SMILESCOC=C1C=c2ccccc2=N1
InChIInChI=1S/C10H9NO/c1-12-7-9-6-8-4-2-3-5-10(8)11-9/h2-7H,1H3
InChIKeyUGOPOTURENLURU-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.59
Rot. Bonds1

About 2-(methoxymethylidene)indole

2-(methoxymethylidene)indole (PubChem CID 175550272) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(methoxymethylidene)indole.

Molecular Properties

Compound Name2-(methoxymethylidene)indole
PubChem CID175550272
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(methoxymethylidene)indole
SMILESCOC=C1C=c2ccccc2=N1
InChIInChI=1S/C10H9NO/c1-12-7-9-6-8-4-2-3-5-10(8)11-9/h2-7H,1H3
InChIKeyUGOPOTURENLURU-UHFFFAOYSA-N
XLogP0.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(methoxymethylidene)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylidene)indole?
The IUPAC name of 2-(methoxymethylidene)indole (CID 175550272) is 2-(methoxymethylidene)indole.
What is the SMILES notation for 2-(methoxymethylidene)indole?
The canonical SMILES for 2-(methoxymethylidene)indole is COC=C1C=c2ccccc2=N1.
What is the InChIKey of 2-(methoxymethylidene)indole?
The InChIKey is UGOPOTURENLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-12-7-9-6-8-4-2-3-5-10(8)11-9/h2-7H,1H3.
What are the key properties of 2-(methoxymethylidene)indole?
2-(methoxymethylidene)indole has a molecular weight of 159.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylidene)indole is sourced from PubChem (CID 175550272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).