2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione

C23H15N3O2 — CID 69004495

IUPAC2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C23H15N3O2/c27-22-16-8-2-3-9-17(16)23(28)26(22)21-12-6-1-7-15(21)13-14-20-18-10-4-5-11-19(18)24-25-20/h1-14H,(H,24,25)/b14-13+
InChIKeyQACWWJSRXQWGNM-BUHFOSPRSA-N
MW365.39 g/mol
LogP4.53
Rot. Bonds3

About 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione

2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione (PubChem CID 69004495) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
PubChem CID69004495
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C23H15N3O2/c27-22-16-8-2-3-9-17(16)23(28)26(22)21-12-6-1-7-15(21)13-14-20-18-10-4-5-11-19(18)24-25-20/h1-14H,(H,24,25)/b14-13+
InChIKeyQACWWJSRXQWGNM-BUHFOSPRSA-N
XLogP4.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
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-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione (CID 69004495) is 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1n[nH]c2ccccc12.
What is the InChIKey of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
The InChIKey is QACWWJSRXQWGNM-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H15N3O2/c27-22-16-8-2-3-9-17(16)23(28)26(22)21-12-6-1-7-15(21)13-14-20-18-10-4-5-11-19(18)24-25-20/h1-14H,(H,24,25)/b14-13+.
What are the key properties of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione has a molecular weight of 365.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 69004495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).