3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

C13H15NO2 — CID 10330964

IUPAC3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCC(C)C1COC2c3ccccc3C(=O)N21
InChIInChI=1S/C13H15NO2/c1-8(2)11-7-16-13-10-6-4-3-5-9(10)12(15)14(11)13/h3-6,8,11,13H,7H2,1-2H3
InChIKeyCIFJRLVDQGKMIV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.20
Rot. Bonds1

About 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 10330964) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID10330964
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCC(C)C1COC2c3ccccc3C(=O)N21
InChIInChI=1S/C13H15NO2/c1-8(2)11-7-16-13-10-6-4-3-5-9(10)12(15)14(11)13/h3-6,8,11,13H,7H2,1-2H3
InChIKeyCIFJRLVDQGKMIV-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 10330964) is 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is CC(C)C1COC2c3ccccc3C(=O)N21.
What is the InChIKey of 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is CIFJRLVDQGKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)11-7-16-13-10-6-4-3-5-9(10)12(15)14(11)13/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 10330964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).