2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one

C15H15Cl2NO — CID 103427975

IUPAC2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H15Cl2NO/c16-11-8-13(17)12-5-7-18(14(12)9-11)6-4-10-2-1-3-15(10)19/h5,7-10H,1-4,6H2
InChIKeyHGNZQBRLKILVDO-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.71
Rot. Bonds3

About 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one

2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one (PubChem CID 103427975) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one
PubChem CID103427975
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H15Cl2NO/c16-11-8-13(17)12-5-7-18(14(12)9-11)6-4-10-2-1-3-15(10)19/h5,7-10H,1-4,6H2
InChIKeyHGNZQBRLKILVDO-UHFFFAOYSA-N
XLogP4.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one (CID 103427975) is 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one is O=C1CCCC1CCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one?
The InChIKey is HGNZQBRLKILVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-11-8-13(17)12-5-7-18(14(12)9-11)6-4-10-2-1-3-15(10)19/h5,7-10H,1-4,6H2.
What are the key properties of 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one?
2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one has a molecular weight of 296.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 103427975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).