2-oxido-1,3-dihydroisoindole

C8H8NO- — CID 87431106

IUPAC2-oxido-1,3-dihydroisoindole
SMILES[O-]N1Cc2ccccc2C1
InChIInChI=1S/C8H8NO/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2/q-1
InChIKeyQRQMKRTUXRGJAC-UHFFFAOYSA-N
MW134.16 g/mol
LogP1.50
Rot. Bonds

About 2-oxido-1,3-dihydroisoindole

2-oxido-1,3-dihydroisoindole (PubChem CID 87431106) has the molecular formula C8H8NO- and a molecular weight of 134.16 g/mol. Its IUPAC name is 2-oxido-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-oxido-1,3-dihydroisoindole
PubChem CID87431106
Molecular FormulaC8H8NO-
Molecular Weight134.16 g/mol
Exact Mass134.06
IUPAC Name2-oxido-1,3-dihydroisoindole
SMILES[O-]N1Cc2ccccc2C1
InChIInChI=1S/C8H8NO/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2/q-1
InChIKeyQRQMKRTUXRGJAC-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxido-1,3-dihydroisoindole?
The IUPAC name of 2-oxido-1,3-dihydroisoindole (CID 87431106) is 2-oxido-1,3-dihydroisoindole.
What is the SMILES notation for 2-oxido-1,3-dihydroisoindole?
The canonical SMILES for 2-oxido-1,3-dihydroisoindole is [O-]N1Cc2ccccc2C1.
What is the InChIKey of 2-oxido-1,3-dihydroisoindole?
The InChIKey is QRQMKRTUXRGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2/q-1.
What are the key properties of 2-oxido-1,3-dihydroisoindole?
2-oxido-1,3-dihydroisoindole has a molecular weight of 134.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxido-1,3-dihydroisoindole is sourced from PubChem (CID 87431106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).