7-methoxy-2-methyl-3H-isoindol-1-one

C10H11NO2 — CID 84717848

IUPAC7-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1cccc2c1C(=O)N(C)C2
InChIInChI=1S/C10H11NO2/c1-11-6-7-4-3-5-8(13-2)9(7)10(11)12/h3-5H,6H2,1-2H3
InChIKeyZKDYNKLJAOOFNV-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.28
Rot. Bonds1

About 7-methoxy-2-methyl-3H-isoindol-1-one

7-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 84717848) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID84717848
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1cccc2c1C(=O)N(C)C2
InChIInChI=1S/C10H11NO2/c1-11-6-7-4-3-5-8(13-2)9(7)10(11)12/h3-5H,6H2,1-2H3
InChIKeyZKDYNKLJAOOFNV-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 7-methoxy-2-methyl-3H-isoindol-1-one (CID 84717848) is 7-methoxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 7-methoxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 7-methoxy-2-methyl-3H-isoindol-1-one is COc1cccc2c1C(=O)N(C)C2.
What is the InChIKey of 7-methoxy-2-methyl-3H-isoindol-1-one?
The InChIKey is ZKDYNKLJAOOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-6-7-4-3-5-8(13-2)9(7)10(11)12/h3-5H,6H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3H-isoindol-1-one?
7-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 84717848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).