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

C11H6Cl3NO2 — CID 79174168

IUPAC7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(Cl)=CCl)c2c(Cl)cccc21
InChIInChI=1S/C11H6Cl3NO2/c12-4-6(13)5-15-9-7(10(16)11(15)17)2-1-3-8(9)14/h1-4H,5H2
InChIKeyFIKOHPACVLAVGL-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.19
Rot. Bonds2

About 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione

7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione (PubChem CID 79174168) has the molecular formula C11H6Cl3NO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
PubChem CID79174168
Molecular FormulaC11H6Cl3NO2
Molecular Weight290.53 g/mol
Exact Mass288.95
IUPAC Name7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(Cl)=CCl)c2c(Cl)cccc21
InChIInChI=1S/C11H6Cl3NO2/c12-4-6(13)5-15-9-7(10(16)11(15)17)2-1-3-8(9)14/h1-4H,5H2
InChIKeyFIKOHPACVLAVGL-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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Related Compounds

7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61355997
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione
CID 79172649
2-(7-chloro-2,3-dioxoindol-1-yl)acetonitrile
CID 61356292
2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
CID 73346162
7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione
CID 103054531
7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072173
7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 61355974
7-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726073
4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
CID 61355822
7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61355675
7-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61355973

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione (CID 79174168) is 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione is O=C1C(=O)N(CC(Cl)=CCl)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
The InChIKey is FIKOHPACVLAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2/c12-4-6(13)5-15-9-7(10(16)11(15)17)2-1-3-8(9)14/h1-4H,5H2.
What are the key properties of 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione?
7-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 7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 79174168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).