2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one

C9H7NO2 — CID 153205873

IUPAC2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
SMILESO=C1NC2OC2c2ccccc21
InChIInChI=1S/C9H7NO2/c11-8-6-4-2-1-3-5(6)7-9(10-8)12-7/h1-4,7,9H,(H,10,11)
InChIKeyWKURANDZNHUQEB-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.83
Rot. Bonds

About 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one

2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one (PubChem CID 153205873) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one.

Molecular Properties

Compound Name2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
PubChem CID153205873
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
SMILESO=C1NC2OC2c2ccccc21
InChIInChI=1S/C9H7NO2/c11-8-6-4-2-1-3-5(6)7-9(10-8)12-7/h1-4,7,9H,(H,10,11)
InChIKeyWKURANDZNHUQEB-UHFFFAOYSA-N
XLogP0.83
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
3-cyclopentyl-2,3-dihydroisoindol-1-one
CID 84733844
1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 151643396
3-acetyl-2,3-dihydroisoindol-1-one
CID 58837111
3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
CID 171099763
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
(3aS,9bR)-2-tert-butyl-4,9b-dihydro-3aH-pyrrolo[3,4-c]isoquinoline-1,3,5-trione
CID 138964072

Frequently Asked Questions

What is the IUPAC name of 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one?
The IUPAC name of 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one (CID 153205873) is 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one.
What is the SMILES notation for 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one?
The canonical SMILES for 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one is O=C1NC2OC2c2ccccc21.
What is the InChIKey of 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one?
The InChIKey is WKURANDZNHUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-6-4-2-1-3-5(6)7-9(10-8)12-7/h1-4,7,9H,(H,10,11).
What are the key properties of 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one?
2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one has a molecular weight of 161.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one is sourced from PubChem (CID 153205873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).