(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

C11H11NO2 — CID 10773997

IUPAC(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESC[C@H]1CN2C(=O)c3ccccc3[C@@H]2O1
InChIInChI=1S/C11H11NO2/c1-7-6-12-10(13)8-4-2-3-5-9(8)11(12)14-7/h2-5,7,11H,6H2,1H3/t7-,11-/m0/s1
InChIKeyOFWYUANSHQLUOB-CPCISQLKSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds

About (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 10773997) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID10773997
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESC[C@H]1CN2C(=O)c3ccccc3[C@@H]2O1
InChIInChI=1S/C11H11NO2/c1-7-6-12-10(13)8-4-2-3-5-9(8)11(12)14-7/h2-5,7,11H,6H2,1H3/t7-,11-/m0/s1
InChIKeyOFWYUANSHQLUOB-CPCISQLKSA-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 (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 10773997) is (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is C[C@H]1CN2C(=O)c3ccccc3[C@@H]2O1.
What is the InChIKey of (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is OFWYUANSHQLUOB-CPCISQLKSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-6-12-10(13)8-4-2-3-5-9(8)11(12)14-7/h2-5,7,11H,6H2,1H3/t7-,11-/m0/s1.
What are the key properties of (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-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 (2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 10773997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).