1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone

C12H15NO3 — CID 12626090

IUPAC1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cc2c(cc1OC)N(C(C)=O)CC2
InChIInChI=1S/C12H15NO3/c1-8(14)13-5-4-9-6-11(15-2)12(16-3)7-10(9)13/h6-7H,4-5H2,1-3H3
InChIKeyGCSZYTDUDYHMGG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.61
Rot. Bonds2

About 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone

1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 12626090) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID12626090
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cc2c(cc1OC)N(C(C)=O)CC2
InChIInChI=1S/C12H15NO3/c1-8(14)13-5-4-9-6-11(15-2)12(16-3)7-10(9)13/h6-7H,4-5H2,1-3H3
InChIKeyGCSZYTDUDYHMGG-UHFFFAOYSA-N
XLogP1.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone (CID 12626090) is 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone is COc1cc2c(cc1OC)N(C(C)=O)CC2.
What is the InChIKey of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is GCSZYTDUDYHMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)13-5-4-9-6-11(15-2)12(16-3)7-10(9)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 221.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 12626090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).