2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione

C14H11NO4 — CID 162399704

IUPAC2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@]12CC[C@H](C1)OC2=O
InChIInChI=1S/C14H11NO4/c16-11-9-3-1-2-4-10(9)12(17)15(11)14-6-5-8(7-14)19-13(14)18/h1-4,8H,5-7H2/t8-,14-/m1/s1
InChIKeyDRFKCRRAZSFOOH-XLKFXECMSA-N
MW257.24 g/mol
LogP1.13
Rot. Bonds1

About 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione

2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione (PubChem CID 162399704) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione
PubChem CID162399704
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@]12CC[C@H](C1)OC2=O
InChIInChI=1S/C14H11NO4/c16-11-9-3-1-2-4-10(9)12(17)15(11)14-6-5-8(7-14)19-13(14)18/h1-4,8H,5-7H2/t8-,14-/m1/s1
InChIKeyDRFKCRRAZSFOOH-XLKFXECMSA-N
XLogP1.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-bromophenyl)-3-hydroxycyclobutyl]isoindole-1,3-dione
CID 58034749
cis-(1R,2S)-1-(1,3-dioxoisoindol-2-yl)cyclopropane-1,2-dicarboxylic acid
CID 95989830
2-(1-sulfanylcyclohexyl)isoindole-1,3-dione
CID 88768077
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-(4,4-dimethylcyclohex-2-en-1-yl)isoindole-1,3-dione
CID 70982125
2-spiro[2.4]heptan-7-ylisoindole-1,3-dione
CID 166117864
cis-dimethyl (1S,2R)-1-(1,3-dioxoisoindol-2-yl)cyclopropane-1,2-dicarboxylate
CID 11255119
(2S)-2-(1,3-dioxoisoindol-2-yl)spiro[2.2]pentane-2-carboxylic acid
CID 175815475
1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
CID 21441264
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
2-(3-fluoro-1-adamantyl)isoindole-1,3-dione
CID 71586018

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione (CID 162399704) is 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@]12CC[C@H](C1)OC2=O.
What is the InChIKey of 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione?
The InChIKey is DRFKCRRAZSFOOH-XLKFXECMSA-N. The full InChI is InChI=1S/C14H11NO4/c16-11-9-3-1-2-4-10(9)12(17)15(11)14-6-5-8(7-14)19-13(14)18/h1-4,8H,5-7H2/t8-,14-/m1/s1.
What are the key properties of 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione?
2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione has a molecular weight of 257.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R)-3-oxo-2-oxabicyclo[2.2.1]heptan-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 162399704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).