1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone

C11H11NO2 — CID 87624738

IUPAC1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
SMILESCC(=O)N1CC2OC2c2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(13)12-6-10-11(14-10)8-4-2-3-5-9(8)12/h2-5,10-11H,6H2,1H3
InChIKeyPVZVRIFPUOSVEQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.49
Rot. Bonds

About 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone

1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone (PubChem CID 87624738) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
PubChem CID87624738
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
SMILESCC(=O)N1CC2OC2c2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(13)12-6-10-11(14-10)8-4-2-3-5-9(8)12/h2-5,10-11H,6H2,1H3
InChIKeyPVZVRIFPUOSVEQ-UHFFFAOYSA-N
XLogP1.49
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone?
The IUPAC name of 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone (CID 87624738) is 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone.
What is the SMILES notation for 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone?
The canonical SMILES for 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone is CC(=O)N1CC2OC2c2ccccc21.
What is the InChIKey of 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone?
The InChIKey is PVZVRIFPUOSVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)12-6-10-11(14-10)8-4-2-3-5-9(8)12/h2-5,10-11H,6H2,1H3.
What are the key properties of 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone?
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone has a molecular weight of 189.21 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone is sourced from PubChem (CID 87624738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).