2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one

C11H11NO2 — CID 12047450

IUPAC2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2C2OCCCN12
InChIInChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11-12(10)6-3-7-14-11/h1-2,4-5,11H,3,6-7H2
InChIKeyDCEOXXYQNASQIY-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds

About 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one

2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 12047450) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID12047450
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2C2OCCCN12
InChIInChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11-12(10)6-3-7-14-11/h1-2,4-5,11H,3,6-7H2
InChIKeyDCEOXXYQNASQIY-UHFFFAOYSA-N
XLogP1.56
TPSA29.54 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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bH)-one
CID 455106
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
2-[2-(4-chlorophenyl)ethyl]-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 5002944
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate
CID 1322784
MS-2764
CID 3796131
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405
Isoindolinone scaffold, 57
CID 16090453
[2-[(2-chlorophenyl)methyl]-3-oxo-1H-isoindol-1-yl] acetate
CID 5307599
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-2-benzofuran-1-one
CID 5389515
ethyl 4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzenecarboxylate
CID 5260631

Frequently Asked Questions

What is the IUPAC name of 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one (CID 12047450) is 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one is O=C1c2ccccc2C2OCCCN12.
What is the InChIKey of 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is DCEOXXYQNASQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11-12(10)6-3-7-14-11/h1-2,4-5,11H,3,6-7H2.
What are the key properties of 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 189.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 12047450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).