3-methoxy-4,7-dimethyl-1H-isoindole

C11H13NO — CID 594896

IUPAC3-methoxy-4,7-dimethyl-1H-isoindole
SMILESCOC1=NCc2c(C)ccc(C)c21
InChIInChI=1S/C11H13NO/c1-7-4-5-8(2)10-9(7)6-12-11(10)13-3/h4-5H,6H2,1-3H3
InChIKeyMKYMOXIDYCAAPX-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.21
Rot. Bonds

About 3-methoxy-4,7-dimethyl-1H-isoindole

3-methoxy-4,7-dimethyl-1H-isoindole (PubChem CID 594896) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-methoxy-4,7-dimethyl-1H-isoindole.

Molecular Properties

Compound Name3-methoxy-4,7-dimethyl-1H-isoindole
PubChem CID594896
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-methoxy-4,7-dimethyl-1H-isoindole
SMILESCOC1=NCc2c(C)ccc(C)c21
InChIInChI=1S/C11H13NO/c1-7-4-5-8(2)10-9(7)6-12-11(10)13-3/h4-5H,6H2,1-3H3
InChIKeyMKYMOXIDYCAAPX-UHFFFAOYSA-N
XLogP2.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,7-dimethyl-1H-isoindole?
The IUPAC name of 3-methoxy-4,7-dimethyl-1H-isoindole (CID 594896) is 3-methoxy-4,7-dimethyl-1H-isoindole.
What is the SMILES notation for 3-methoxy-4,7-dimethyl-1H-isoindole?
The canonical SMILES for 3-methoxy-4,7-dimethyl-1H-isoindole is COC1=NCc2c(C)ccc(C)c21.
What is the InChIKey of 3-methoxy-4,7-dimethyl-1H-isoindole?
The InChIKey is MKYMOXIDYCAAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-4-5-8(2)10-9(7)6-12-11(10)13-3/h4-5H,6H2,1-3H3.
What are the key properties of 3-methoxy-4,7-dimethyl-1H-isoindole?
3-methoxy-4,7-dimethyl-1H-isoindole has a molecular weight of 175.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,7-dimethyl-1H-isoindole is sourced from PubChem (CID 594896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).