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

C11H11NO2 — CID 93491194

IUPAC(10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2[C@H]2OCCCN12
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/t11-/m1/s1
InChIKeyDCEOXXYQNASQIY-LLVKDONJSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds

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

(10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 93491194) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name(10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID93491194
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2[C@H]2OCCCN12
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/t11-/m1/s1
InChIKeyDCEOXXYQNASQIY-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one (CID 93491194) is (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one is O=C1c2ccccc2[C@H]2OCCCN12.
What is the InChIKey of (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is DCEOXXYQNASQIY-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one?
(10bR)-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 (10bR)-2,3,4,10b-tetrahydro-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 93491194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).