6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate

C19H23NO5 — CID 166190465

IUPAC6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate
SMILESO=C(OCCCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1
InChIInChI=1S/C19H23NO5/c21-17-14-8-3-4-9-15(14)18(22)20(17)11-5-1-2-6-12-25-19(23)16-10-7-13-24-16/h3-4,8-9,16H,1-2,5-7,10-13H2/t16-/m0/s1
InChIKeyNJVZFPBJTXVXRN-INIZCTEOSA-N
MW345.39 g/mol
LogP2.57
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate

6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate (PubChem CID 166190465) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate
PubChem CID166190465
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate
SMILESO=C(OCCCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1
InChIInChI=1S/C19H23NO5/c21-17-14-8-3-4-9-15(14)18(22)20(17)11-5-1-2-6-12-25-19(23)16-10-7-13-24-16/h3-4,8-9,16H,1-2,5-7,10-13H2/t16-/m0/s1
InChIKeyNJVZFPBJTXVXRN-INIZCTEOSA-N
XLogP2.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate 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

6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
CID 166185241
3-(1,3-dioxoisoindol-2-yl)propyl oxolane-2-carboxylate
CID 110495047
2-phenylethyl oxane-2-carboxylate
CID 151584016
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
CID 108540726
3-(1,3-dioxoisoindol-2-yl)propyl 2-cyclohexylacetate
CID 110495090
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
4-(1,3-dioxoisoindol-2-yl)butyl 1-methylpyrazole-4-carboxylate
CID 16575759
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-(3-methoxypropyl)-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108535074
3-(1,3-dioxoisoindol-2-yl)propyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55373236
3-(1,3-dioxoisoindol-2-yl)propyl 4-hydroxybenzoate
CID 31980780

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate (CID 166190465) is 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate is O=C(OCCCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate?
The InChIKey is NJVZFPBJTXVXRN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO5/c21-17-14-8-3-4-9-15(14)18(22)20(17)11-5-1-2-6-12-25-19(23)16-10-7-13-24-16/h3-4,8-9,16H,1-2,5-7,10-13H2/t16-/m0/s1.
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate?
6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate has a molecular weight of 345.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate is sourced from PubChem (CID 166190465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).