4-propan-2-yloxyisoindole-1,3-dione

C11H11NO3 — CID 22997019

IUPAC4-propan-2-yloxyisoindole-1,3-dione
SMILESCC(C)Oc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C11H11NO3/c1-6(2)15-8-5-3-4-7-9(8)11(14)12-10(7)13/h3-6H,1-2H3,(H,12,13,14)
InChIKeyRYBOCKTWELBXHV-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.36
Rot. Bonds2

About 4-propan-2-yloxyisoindole-1,3-dione

4-propan-2-yloxyisoindole-1,3-dione (PubChem CID 22997019) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-propan-2-yloxyisoindole-1,3-dione.

Molecular Properties

Compound Name4-propan-2-yloxyisoindole-1,3-dione
PubChem CID22997019
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-propan-2-yloxyisoindole-1,3-dione
SMILESCC(C)Oc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C11H11NO3/c1-6(2)15-8-5-3-4-7-9(8)11(14)12-10(7)13/h3-6H,1-2H3,(H,12,13,14)
InChIKeyRYBOCKTWELBXHV-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CID 346002
4-Phenoxyphthalimide
CID 834420
(+/-)-7-isopropoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11231392
Zinnimide
CID 100641860
N-(2-Ethoxybenzoyl)ethanimidato
CID 211525
4-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 11672718
5-Methoxy-1H-isoindole-1,3(2H)-dione
CID 13152719
6-Methoxy-2,3-dihydro-1H-isoindol-1-one
CID 14005623
N-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-ethoxybenzamide
CID 5072859
5-(2-Phenylethoxy)isoindole-1,3-dione
CID 56659353
5-[(E)-3-phenylprop-2-enoxy]isoindole-1,3-dione
CID 56659354

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxyisoindole-1,3-dione?
The IUPAC name of 4-propan-2-yloxyisoindole-1,3-dione (CID 22997019) is 4-propan-2-yloxyisoindole-1,3-dione.
What is the SMILES notation for 4-propan-2-yloxyisoindole-1,3-dione?
The canonical SMILES for 4-propan-2-yloxyisoindole-1,3-dione is CC(C)Oc1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-propan-2-yloxyisoindole-1,3-dione?
The InChIKey is RYBOCKTWELBXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(2)15-8-5-3-4-7-9(8)11(14)12-10(7)13/h3-6H,1-2H3,(H,12,13,14).
What are the key properties of 4-propan-2-yloxyisoindole-1,3-dione?
4-propan-2-yloxyisoindole-1,3-dione has a molecular weight of 205.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyisoindole-1,3-dione is sourced from PubChem (CID 22997019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).