2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione

C22H18N2O4 — CID 2911337

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N2O4/c25-19-13-7-1-2-8-14(13)20(26)23(19)17-11-5-6-12-18(17)24-21(27)15-9-3-4-10-16(15)22(24)28/h1-4,7-10,17-18H,5-6,11-12H2
InChIKeyUWFSWSSYDYLUBT-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.89
Rot. Bonds2

About 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione

2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione (PubChem CID 2911337) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
PubChem CID2911337
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N2O4/c25-19-13-7-1-2-8-14(13)20(26)23(19)17-11-5-6-12-18(17)24-21(27)15-9-3-4-10-16(15)22(24)28/h1-4,7-10,17-18H,5-6,11-12H2
InChIKeyUWFSWSSYDYLUBT-UHFFFAOYSA-N
XLogP2.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-cyclodecylisoindole-1,3-dione
CID 123786237
(7R,12R,27R,32R,52R)-6,13,26,33,46,53-hexazahexadecacyclo[51.7.1.16,58.113,21.118,26.133,41.138,46.04,59.07,12.015,20.019,24.027,32.035,40.039,44.047,52.055,60]hexahexaconta-1(60),2,4(59),15,17,19(24),20,22,35(40),36,38,41,43,55,57-pentadecaene-5,14,25,34,45,54,61,62,63,64,65,66-dodecone
CID 155061131
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
2-[(1R,2R,6S)-2-bicyclo[4.1.0]heptanyl]isoindole-1,3-dione
CID 102049318
2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione
CID 70982058
2-(2-methylidenecyclohexyl)isoindole-1,3-dione
CID 86708961
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]isoindole-1,3-dione
CID 18645244
2-spiro[2.4]heptan-7-ylisoindole-1,3-dione
CID 166117864
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 11906128
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 1296952
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione (CID 2911337) is 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCCCC1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione?
The InChIKey is UWFSWSSYDYLUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-19-13-7-1-2-8-14(13)20(26)23(19)17-11-5-6-12-18(17)24-21(27)15-9-3-4-10-16(15)22(24)28/h1-4,7-10,17-18H,5-6,11-12H2.
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione?
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione has a molecular weight of 374.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 2911337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).