2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione

C16H15NO3 — CID 168527569

IUPAC2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
SMILESCC(C)(C)N1C(=O)c2ccc(-c3ccco3)cc2C1=O
InChIInChI=1S/C16H15NO3/c1-16(2,3)17-14(18)11-7-6-10(9-12(11)15(17)19)13-5-4-8-20-13/h4-9H,1-3H3
InChIKeySHYBRCIBCVQNBV-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.34
Rot. Bonds1

About 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione

2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione (PubChem CID 168527569) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
PubChem CID168527569
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
SMILESCC(C)(C)N1C(=O)c2ccc(-c3ccco3)cc2C1=O
InChIInChI=1S/C16H15NO3/c1-16(2,3)17-14(18)11-7-6-10(9-12(11)15(17)19)13-5-4-8-20-13/h4-9H,1-3H3
InChIKeySHYBRCIBCVQNBV-UHFFFAOYSA-N
XLogP3.34
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]isoindole-1,3-dione
CID 168539794
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-tert-butyl-1,3-dioxoisoindole-5-carboxylate
CID 7013506
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168528419
2-tert-butylisoindole-1,3-dione;3-tert-butyl-3-methyloxetane
CID 159277874
5-(furan-2-yl)-1-methylbenzotriazole
CID 168525527
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
CID 153288757
4-(furan-2-yl)-1,6-dimethylpyridin-2-one
CID 125449500
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
2-tert-butyl-5-(furan-2-yl)-1H-indole
CID 168525578
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione (CID 168527569) is 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione is CC(C)(C)N1C(=O)c2ccc(-c3ccco3)cc2C1=O.
What is the InChIKey of 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione?
The InChIKey is SHYBRCIBCVQNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-16(2,3)17-14(18)11-7-6-10(9-12(11)15(17)19)13-5-4-8-20-13/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione?
2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione has a molecular weight of 269.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 168527569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).