5-methoxy-2H-isoindole

C9H9NO — CID 122462019

IUPAC5-methoxy-2H-isoindole
SMILESCOc1ccc2c[nH]cc2c1
InChIInChI=1S/C9H9NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-6,10H,1H3
InChIKeyRXBFSXIYSRQHNU-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.18
Rot. Bonds1

About 5-methoxy-2H-isoindole

5-methoxy-2H-isoindole (PubChem CID 122462019) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methoxy-2H-isoindole.

Molecular Properties

Compound Name5-methoxy-2H-isoindole
PubChem CID122462019
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-methoxy-2H-isoindole
SMILESCOc1ccc2c[nH]cc2c1
InChIInChI=1S/C9H9NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-6,10H,1H3
InChIKeyRXBFSXIYSRQHNU-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2H-isoindole?
The IUPAC name of 5-methoxy-2H-isoindole (CID 122462019) is 5-methoxy-2H-isoindole.
What is the SMILES notation for 5-methoxy-2H-isoindole?
The canonical SMILES for 5-methoxy-2H-isoindole is COc1ccc2c[nH]cc2c1.
What is the InChIKey of 5-methoxy-2H-isoindole?
The InChIKey is RXBFSXIYSRQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-6,10H,1H3.
What are the key properties of 5-methoxy-2H-isoindole?
5-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 5-methoxy-2H-isoindole is sourced from PubChem (CID 122462019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).