6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione

C11H6Cl3NO2 — CID 79173662

IUPAC6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(Cl)=CCl)c2cc(Cl)ccc21
InChIInChI=1S/C11H6Cl3NO2/c12-4-7(14)5-15-9-3-6(13)1-2-8(9)10(16)11(15)17/h1-4H,5H2
InChIKeyYCKKYKBMOPGDQH-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.19
Rot. Bonds2

About 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione

6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione (PubChem CID 79173662) has the molecular formula C11H6Cl3NO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
PubChem CID79173662
Molecular FormulaC11H6Cl3NO2
Molecular Weight290.53 g/mol
Exact Mass288.95
IUPAC Name6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(Cl)=CCl)c2cc(Cl)ccc21
InChIInChI=1S/C11H6Cl3NO2/c12-4-7(14)5-15-9-3-6(13)1-2-8(9)10(16)11(15)17/h1-4H,5H2
InChIKeyYCKKYKBMOPGDQH-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
The IUPAC name of 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione (CID 79173662) is 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione is O=C1C(=O)N(CC(Cl)=CCl)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
The InChIKey is YCKKYKBMOPGDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2/c12-4-7(14)5-15-9-3-6(13)1-2-8(9)10(16)11(15)17/h1-4H,5H2.
What are the key properties of 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione has a molecular weight of 290.53 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 79173662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).