2-cyclohexyl-4-ethenyl-3H-isoindol-1-one

C16H19NO — CID 172876105

IUPAC2-cyclohexyl-4-ethenyl-3H-isoindol-1-one
SMILESC=Cc1cccc2c1CN(C1CCCCC1)C2=O
InChIInChI=1S/C16H19NO/c1-2-12-7-6-10-14-15(12)11-17(16(14)18)13-8-4-3-5-9-13/h2,6-7,10,13H,1,3-5,8-9,11H2
InChIKeyJOQKHHOMVSHLKJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.62
Rot. Bonds2

About 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one

2-cyclohexyl-4-ethenyl-3H-isoindol-1-one (PubChem CID 172876105) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-4-ethenyl-3H-isoindol-1-one
PubChem CID172876105
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-cyclohexyl-4-ethenyl-3H-isoindol-1-one
SMILESC=Cc1cccc2c1CN(C1CCCCC1)C2=O
InChIInChI=1S/C16H19NO/c1-2-12-7-6-10-14-15(12)11-17(16(14)18)13-8-4-3-5-9-13/h2,6-7,10,13H,1,3-5,8-9,11H2
InChIKeyJOQKHHOMVSHLKJ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one?
The IUPAC name of 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one (CID 172876105) is 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one?
The canonical SMILES for 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one is C=Cc1cccc2c1CN(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one?
The InChIKey is JOQKHHOMVSHLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-12-7-6-10-14-15(12)11-17(16(14)18)13-8-4-3-5-9-13/h2,6-7,10,13H,1,3-5,8-9,11H2.
What are the key properties of 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one?
2-cyclohexyl-4-ethenyl-3H-isoindol-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-ethenyl-3H-isoindol-1-one is sourced from PubChem (CID 172876105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).