1-methoxy-2H-isoindole

C9H9NO — CID 91389894

IUPAC1-methoxy-2H-isoindole
SMILESCOc1[nH]cc2ccccc12
InChIInChI=1S/C9H9NO/c1-11-9-8-5-3-2-4-7(8)6-10-9/h2-6,10H,1H3
InChIKeyXWACOSRTCVIMQE-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.18
Rot. Bonds1

About 1-methoxy-2H-isoindole

1-methoxy-2H-isoindole (PubChem CID 91389894) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-methoxy-2H-isoindole.

Molecular Properties

Compound Name1-methoxy-2H-isoindole
PubChem CID91389894
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-methoxy-2H-isoindole
SMILESCOc1[nH]cc2ccccc12
InChIInChI=1S/C9H9NO/c1-11-9-8-5-3-2-4-7(8)6-10-9/h2-6,10H,1H3
InChIKeyXWACOSRTCVIMQE-UHFFFAOYSA-N
XLogP2.18
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2H-isoindole?
The IUPAC name of 1-methoxy-2H-isoindole (CID 91389894) is 1-methoxy-2H-isoindole.
What is the SMILES notation for 1-methoxy-2H-isoindole?
The canonical SMILES for 1-methoxy-2H-isoindole is COc1[nH]cc2ccccc12.
What is the InChIKey of 1-methoxy-2H-isoindole?
The InChIKey is XWACOSRTCVIMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-8-5-3-2-4-7(8)6-10-9/h2-6,10H,1H3.
What are the key properties of 1-methoxy-2H-isoindole?
1-methoxy-2H-isoindole has a molecular weight of 147.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2H-isoindole is sourced from PubChem (CID 91389894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).