2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione

C15H11NO2S — CID 15579968

IUPAC2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C/c1cccs1
InChIInChI=1S/C15H11NO2S/c17-14-12-7-1-2-8-13(12)15(18)16(14)9-3-5-11-6-4-10-19-11/h1-8,10H,9H2/b5-3+
InChIKeyFZVCVRONMJWPHJ-HWKANZROSA-N
MW269.32 g/mol
LogP3.06
Rot. Bonds3

About 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione

2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione (PubChem CID 15579968) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
PubChem CID15579968
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C/c1cccs1
InChIInChI=1S/C15H11NO2S/c17-14-12-7-1-2-8-13(12)15(18)16(14)9-3-5-11-6-4-10-19-11/h1-8,10H,9H2/b5-3+
InChIKeyFZVCVRONMJWPHJ-HWKANZROSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-5-sulfanylpenta-2,4-dienyl]isoindole-1,3-dione
CID 143478866
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
4-thiophen-2-ylbut-3-enenitrile
CID 170799049
2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]isoindole-1,3-dione
CID 102314031
2-[(E)-3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
CID 15736812
2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
CID 14395653
1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
CID 14947206
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione (CID 15579968) is 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C/C=C/c1cccs1.
What is the InChIKey of 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione?
The InChIKey is FZVCVRONMJWPHJ-HWKANZROSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-14-12-7-1-2-8-13(12)15(18)16(14)9-3-5-11-6-4-10-19-11/h1-8,10H,9H2/b5-3+.
What are the key properties of 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione?
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione has a molecular weight of 269.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 15579968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).