2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione

C18H15NO3 — CID 126612390

IUPAC2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1COC[C@H]1c1ccccc1
InChIInChI=1S/C18H15NO3/c20-17-13-8-4-5-9-14(13)18(21)19(17)16-11-22-10-15(16)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1
InChIKeyKBXMQEVEBUEGSS-JKSUJKDBSA-N
MW293.32 g/mol
LogP2.47
Rot. Bonds2

About 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione

2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione (PubChem CID 126612390) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione
PubChem CID126612390
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1COC[C@H]1c1ccccc1
InChIInChI=1S/C18H15NO3/c20-17-13-8-4-5-9-14(13)18(21)19(17)16-11-22-10-15(16)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1
InChIKeyKBXMQEVEBUEGSS-JKSUJKDBSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione (CID 126612390) is 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1COC[C@H]1c1ccccc1.
What is the InChIKey of 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione?
The InChIKey is KBXMQEVEBUEGSS-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17-13-8-4-5-9-14(13)18(21)19(17)16-11-22-10-15(16)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1.
What are the key properties of 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione?
2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione has a molecular weight of 293.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 126612390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).