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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Related Compounds

2-[(2-cyclohexyl-1-oxo-3H-isoindol-4-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607913
N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide
CID 168652997
(2-cyclopentyl-1-oxo-3H-isoindol-4-yl) 2-oxobutanoate
CID 22385719
4-cyclopentyl-9-methyl-3H-1,4-benzothiazepine-2,5-dione
CID 20526462
4-(7-bromo-3-oxo-1H-isoindol-2-yl)cyclohexane-1-carboxylic acid
CID 178071977
2-cyclodecylisoindole-1,3-dione
CID 123786237
4-fluoro-2-[(3R)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 86276896
2-cyclohexyl-3-oxo-1H-isoindole-4-carboxylic acid
CID 783733
4-cyclopentyl-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-1,4-benzodiazepin-5-one
CID 11326935
4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 139448254
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 139229832

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).