1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone

C11H13NO2 — CID 12626091

IUPAC1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C11H13NO2/c1-8(13)12-6-5-9-7-10(14-2)3-4-11(9)12/h3-4,7H,5-6H2,1-2H3
InChIKeyBAOMRKOXBRECSL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.60
Rot. Bonds1

About 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone

1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 12626091) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID12626091
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C11H13NO2/c1-8(13)12-6-5-9-7-10(14-2)3-4-11(9)12/h3-4,7H,5-6H2,1-2H3
InChIKeyBAOMRKOXBRECSL-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone 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 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone (CID 12626091) is 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone is COc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BAOMRKOXBRECSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)12-6-5-9-7-10(14-2)3-4-11(9)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone?
1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 12626091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).