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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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).