7-chloro-1-(5-chloropentyl)indole-2,3-dione

C13H13Cl2NO2 — CID 61355973

IUPAC7-chloro-1-(5-chloropentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCl)c2c(Cl)cccc21
InChIInChI=1S/C13H13Cl2NO2/c14-7-2-1-3-8-16-11-9(12(17)13(16)18)5-4-6-10(11)15/h4-6H,1-3,7-8H2
InChIKeyXZAKTUKMUJNWBL-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.28
Rot. Bonds5

About 7-chloro-1-(5-chloropentyl)indole-2,3-dione

7-chloro-1-(5-chloropentyl)indole-2,3-dione (PubChem CID 61355973) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 7-chloro-1-(5-chloropentyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(5-chloropentyl)indole-2,3-dione
PubChem CID61355973
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name7-chloro-1-(5-chloropentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCl)c2c(Cl)cccc21
InChIInChI=1S/C13H13Cl2NO2/c14-7-2-1-3-8-16-11-9(12(17)13(16)18)5-4-6-10(11)15/h4-6H,1-3,7-8H2
InChIKeyXZAKTUKMUJNWBL-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(5-chloropentyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(5-chloropentyl)indole-2,3-dione (CID 61355973) is 7-chloro-1-(5-chloropentyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(5-chloropentyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(5-chloropentyl)indole-2,3-dione is O=C1C(=O)N(CCCCCCl)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(5-chloropentyl)indole-2,3-dione?
The InChIKey is XZAKTUKMUJNWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-7-2-1-3-8-16-11-9(12(17)13(16)18)5-4-6-10(11)15/h4-6H,1-3,7-8H2.
What are the key properties of 7-chloro-1-(5-chloropentyl)indole-2,3-dione?
7-chloro-1-(5-chloropentyl)indole-2,3-dione has a molecular weight of 286.16 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(5-chloropentyl)indole-2,3-dione is sourced from PubChem (CID 61355973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).