5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione

C16H10ClNO2 — CID 44575103

IUPAC5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(/C=C/c3cccc(Cl)c3)cc2C1=O
InChIInChI=1S/C16H10ClNO2/c17-12-3-1-2-10(8-12)4-5-11-6-7-14-13(9-11)15(19)16(20)18-14/h1-9H,(H,18,19,20)/b5-4+
InChIKeyZKYUNESJTCRBIF-SNAWJCMRSA-N
MW283.71 g/mol
LogP3.65
Rot. Bonds2

About 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione

5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione (PubChem CID 44575103) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione
PubChem CID44575103
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(/C=C/c3cccc(Cl)c3)cc2C1=O
InChIInChI=1S/C16H10ClNO2/c17-12-3-1-2-10(8-12)4-5-11-6-7-14-13(9-11)15(19)16(20)18-14/h1-9H,(H,18,19,20)/b5-4+
InChIKeyZKYUNESJTCRBIF-SNAWJCMRSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione?
The IUPAC name of 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione (CID 44575103) is 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione is O=C1Nc2ccc(/C=C/c3cccc(Cl)c3)cc2C1=O.
What is the InChIKey of 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione?
The InChIKey is ZKYUNESJTCRBIF-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-12-3-1-2-10(8-12)4-5-11-6-7-14-13(9-11)15(19)16(20)18-14/h1-9H,(H,18,19,20)/b5-4+.
What are the key properties of 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione?
5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione has a molecular weight of 283.71 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indole-2,3-dione is sourced from PubChem (CID 44575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).