5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C13H15NO4 — CID 82159610

IUPAC5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C13H15NO4/c1-14-13(16)9-4-10(15)8-6-12(18-3)11(17-2)5-7(8)9/h5-6,9H,4H2,1-3H3,(H,14,16)
InChIKeyHDMNILHBTFFJLM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.12
Rot. Bonds3

About 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 82159610) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID82159610
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C13H15NO4/c1-14-13(16)9-4-10(15)8-6-12(18-3)11(17-2)5-7(8)9/h5-6,9H,4H2,1-3H3,(H,14,16)
InChIKeyHDMNILHBTFFJLM-UHFFFAOYSA-N
XLogP1.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 82159610) is 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is CNC(=O)C1CC(=O)c2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is HDMNILHBTFFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-13(16)9-4-10(15)8-6-12(18-3)11(17-2)5-7(8)9/h5-6,9H,4H2,1-3H3,(H,14,16).
What are the key properties of 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 82159610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).