2,2-dimethoxy-1H-indol-3-one

C10H11NO3 — CID 123242103

IUPAC2,2-dimethoxy-1H-indol-3-one
SMILESCOC1(OC)Nc2ccccc2C1=O
InChIInChI=1S/C10H11NO3/c1-13-10(14-2)9(12)7-5-3-4-6-8(7)11-10/h3-6,11H,1-2H3
InChIKeyDFGAZANNYWLASH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.24
Rot. Bonds2

About 2,2-dimethoxy-1H-indol-3-one

2,2-dimethoxy-1H-indol-3-one (PubChem CID 123242103) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2,2-dimethoxy-1H-indol-3-one.

Molecular Properties

Compound Name2,2-dimethoxy-1H-indol-3-one
PubChem CID123242103
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2,2-dimethoxy-1H-indol-3-one
SMILESCOC1(OC)Nc2ccccc2C1=O
InChIInChI=1S/C10H11NO3/c1-13-10(14-2)9(12)7-5-3-4-6-8(7)11-10/h3-6,11H,1-2H3
InChIKeyDFGAZANNYWLASH-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1H-indol-3-one?
The IUPAC name of 2,2-dimethoxy-1H-indol-3-one (CID 123242103) is 2,2-dimethoxy-1H-indol-3-one.
What is the SMILES notation for 2,2-dimethoxy-1H-indol-3-one?
The canonical SMILES for 2,2-dimethoxy-1H-indol-3-one is COC1(OC)Nc2ccccc2C1=O.
What is the InChIKey of 2,2-dimethoxy-1H-indol-3-one?
The InChIKey is DFGAZANNYWLASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(14-2)9(12)7-5-3-4-6-8(7)11-10/h3-6,11H,1-2H3.
What are the key properties of 2,2-dimethoxy-1H-indol-3-one?
2,2-dimethoxy-1H-indol-3-one has a molecular weight of 193.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1H-indol-3-one is sourced from PubChem (CID 123242103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).