2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one

C15H16ClNO — CID 79570058

IUPAC2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C15H16ClNO/c16-13-4-5-14-12(10-13)7-9-17(14)8-6-11-2-1-3-15(11)18/h4-5,7,9-11H,1-3,6,8H2
InChIKeyGXOCQFSSJKDWMA-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.05
Rot. Bonds3

About 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one

2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one (PubChem CID 79570058) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one
PubChem CID79570058
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C15H16ClNO/c16-13-4-5-14-12(10-13)7-9-17(14)8-6-11-2-1-3-15(11)18/h4-5,7,9-11H,1-3,6,8H2
InChIKeyGXOCQFSSJKDWMA-UHFFFAOYSA-N
XLogP4.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one (CID 79570058) is 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one is O=C1CCCC1CCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one?
The InChIKey is GXOCQFSSJKDWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-4-5-14-12(10-13)7-9-17(14)8-6-11-2-1-3-15(11)18/h4-5,7,9-11H,1-3,6,8H2.
What are the key properties of 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one?
2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one has a molecular weight of 261.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloroindol-1-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).