9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione

C15H15NO3 — CID 134110005

IUPAC9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione
SMILESCC12OC(=O)C3(CCCC3)N1C(=O)c1ccccc12
InChIInChI=1S/C15H15NO3/c1-14-11-7-3-2-6-10(11)12(17)16(14)15(13(18)19-14)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyKAVXEGACTUKMJO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.18
Rot. Bonds

About 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione

9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione (PubChem CID 134110005) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione.

Molecular Properties

Compound Name9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione
PubChem CID134110005
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione
SMILESCC12OC(=O)C3(CCCC3)N1C(=O)c1ccccc12
InChIInChI=1S/C15H15NO3/c1-14-11-7-3-2-6-10(11)12(17)16(14)15(13(18)19-14)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyKAVXEGACTUKMJO-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione?
The IUPAC name of 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione (CID 134110005) is 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione.
What is the SMILES notation for 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione?
The canonical SMILES for 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione is CC12OC(=O)C3(CCCC3)N1C(=O)c1ccccc12.
What is the InChIKey of 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione?
The InChIKey is KAVXEGACTUKMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-14-11-7-3-2-6-10(11)12(17)16(14)15(13(18)19-14)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione?
9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione has a molecular weight of 257.29 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione is sourced from PubChem (CID 134110005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).