2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one

C19H19NO3 — CID 68963485

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(C1CCc3ccccc31)C2
InChIInChI=1S/C19H19NO3/c1-22-16-10-8-13-11-20(19(21)17(13)18(16)23-2)15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyVFZPWHZORHXHAK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.35
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one

2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one (PubChem CID 68963485) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one
PubChem CID68963485
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(C1CCc3ccccc31)C2
InChIInChI=1S/C19H19NO3/c1-22-16-10-8-13-11-20(19(21)17(13)18(16)23-2)15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyVFZPWHZORHXHAK-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one (CID 68963485) is 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one is COc1ccc2c(c1OC)C(=O)N(C1CCc3ccccc31)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one?
The InChIKey is VFZPWHZORHXHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-16-10-8-13-11-20(19(21)17(13)18(16)23-2)15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one?
2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one has a molecular weight of 309.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one is sourced from PubChem (CID 68963485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).