6-methoxy-1H-isoindole

C9H9NO — CID 159740067

IUPAC6-methoxy-1H-isoindole
SMILESCOc1ccc2c(c1)CN=C2
InChIInChI=1S/C9H9NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-5H,6H2,1H3
InChIKeyZPVKLFLXYZWUSA-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.63
Rot. Bonds1

About 6-methoxy-1H-isoindole

6-methoxy-1H-isoindole (PubChem CID 159740067) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-methoxy-1H-isoindole.

Molecular Properties

Compound Name6-methoxy-1H-isoindole
PubChem CID159740067
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-methoxy-1H-isoindole
SMILESCOc1ccc2c(c1)CN=C2
InChIInChI=1S/C9H9NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-5H,6H2,1H3
InChIKeyZPVKLFLXYZWUSA-UHFFFAOYSA-N
XLogP1.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3,3-dimethyl-4H-isoquinoline
CID 15337117
6-methoxy-1H-indene
CID 22155588
5-methoxy-3H-indazole
CID 119082397
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
CID 143787705
7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
CID 132552094
3,7-dimethoxy-1H-naphthalen-2-one
CID 142704894
N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147636008
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 147787453

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-isoindole?
The IUPAC name of 6-methoxy-1H-isoindole (CID 159740067) is 6-methoxy-1H-isoindole.
What is the SMILES notation for 6-methoxy-1H-isoindole?
The canonical SMILES for 6-methoxy-1H-isoindole is COc1ccc2c(c1)CN=C2.
What is the InChIKey of 6-methoxy-1H-isoindole?
The InChIKey is ZPVKLFLXYZWUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-5H,6H2,1H3.
What are the key properties of 6-methoxy-1H-isoindole?
6-methoxy-1H-isoindole has a molecular weight of 147.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-isoindole is sourced from PubChem (CID 159740067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).