2-hydroxyisoindole-1,3-dione;propane

C11H13NO3 — CID 143899638

IUPAC2-hydroxyisoindole-1,3-dione;propane
SMILESCCC.O=C1c2ccccc2C(=O)N1O
InChIInChI=1S/C8H5NO3.C3H8/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-3-2/h1-4,12H;3H2,1-2H3
InChIKeyWTDVPRTYCGTZOC-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.09
Rot. Bonds

About 2-hydroxyisoindole-1,3-dione;propane

2-hydroxyisoindole-1,3-dione;propane (PubChem CID 143899638) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-hydroxyisoindole-1,3-dione;propane.

Molecular Properties

Compound Name2-hydroxyisoindole-1,3-dione;propane
PubChem CID143899638
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-hydroxyisoindole-1,3-dione;propane
SMILESCCC.O=C1c2ccccc2C(=O)N1O
InChIInChI=1S/C8H5NO3.C3H8/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-3-2/h1-4,12H;3H2,1-2H3
InChIKeyWTDVPRTYCGTZOC-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyisoindole-1,3-dione
CID 66775726
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
CID 66974961
CID 66974961
2-deuteriooxyisoindole-1,3-dione
CID 146169877
2-diethylphosphanylisoindole-1,3-dione
CID 23341095
anthracene-9,10-dione;propane
CID 162068050
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
1-bromo-2-ethylsulfanylethane;2-(2-ethylsulfanylethoxy)isoindole-1,3-dione;2-hydroxyisoindole-1,3-dione
CID 158095999
4-hexyl-2-hydroxy-4H-isoquinoline-1,3-dione
CID 51041923
tris(fluoren-9-one);methane;methanol;propane
CID 158940113

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyisoindole-1,3-dione;propane?
The IUPAC name of 2-hydroxyisoindole-1,3-dione;propane (CID 143899638) is 2-hydroxyisoindole-1,3-dione;propane.
What is the SMILES notation for 2-hydroxyisoindole-1,3-dione;propane?
The canonical SMILES for 2-hydroxyisoindole-1,3-dione;propane is CCC.O=C1c2ccccc2C(=O)N1O.
What is the InChIKey of 2-hydroxyisoindole-1,3-dione;propane?
The InChIKey is WTDVPRTYCGTZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3.C3H8/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-3-2/h1-4,12H;3H2,1-2H3.
What are the key properties of 2-hydroxyisoindole-1,3-dione;propane?
2-hydroxyisoindole-1,3-dione;propane has a molecular weight of 207.23 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyisoindole-1,3-dione;propane is sourced from PubChem (CID 143899638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).