2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione

C25H19NO2 — CID 139148505

IUPAC2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H]1/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19NO2/c27-24-21-8-4-5-9-22(21)25(28)26(24)23-16-20(23)15-12-17-10-13-19(14-11-17)18-6-2-1-3-7-18/h1-15,20,23H,16H2/b15-12+/t20-,23+/m0/s1
InChIKeyQDMMLWHEUZZRHN-CKSDJQNESA-N
MW365.43 g/mol
LogP5.05
Rot. Bonds4

About 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione

2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione (PubChem CID 139148505) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione
PubChem CID139148505
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H]1/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19NO2/c27-24-21-8-4-5-9-22(21)25(28)26(24)23-16-20(23)15-12-17-10-13-19(14-11-17)18-6-2-1-3-7-18/h1-15,20,23H,16H2/b15-12+/t20-,23+/m0/s1
InChIKeyQDMMLWHEUZZRHN-CKSDJQNESA-N
XLogP5.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione (CID 139148505) is 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H]1/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione?
The InChIKey is QDMMLWHEUZZRHN-CKSDJQNESA-N. The full InChI is InChI=1S/C25H19NO2/c27-24-21-8-4-5-9-22(21)25(28)26(24)23-16-20(23)15-12-17-10-13-19(14-11-17)18-6-2-1-3-7-18/h1-15,20,23H,16H2/b15-12+/t20-,23+/m0/s1.
What are the key properties of 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione?
2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione has a molecular weight of 365.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-[(E)-2-(4-phenylphenyl)ethenyl]cyclopropyl]isoindole-1,3-dione is sourced from PubChem (CID 139148505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).