2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one

C16H19NO — CID 79569634

IUPAC2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one
SMILESCc1cc2ccccc2n1CCC1CCCC1=O
InChIInChI=1S/C16H19NO/c1-12-11-14-5-2-3-7-15(14)17(12)10-9-13-6-4-8-16(13)18/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyXMOBVFWZEXCXQP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.71
Rot. Bonds3

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

2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one (PubChem CID 79569634) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one
PubChem CID79569634
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one
SMILESCc1cc2ccccc2n1CCC1CCCC1=O
InChIInChI=1S/C16H19NO/c1-12-11-14-5-2-3-7-15(14)17(12)10-9-13-6-4-8-16(13)18/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyXMOBVFWZEXCXQP-UHFFFAOYSA-N
XLogP3.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one (CID 79569634) is 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one is Cc1cc2ccccc2n1CCC1CCCC1=O.
What is the InChIKey of 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one?
The InChIKey is XMOBVFWZEXCXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-11-14-5-2-3-7-15(14)17(12)10-9-13-6-4-8-16(13)18/h2-3,5,7,11,13H,4,6,8-10H2,1H3.
What are the key properties of 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one?
2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79569634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).