4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione

C20H17NO2 — CID 138377141

IUPAC4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1ccccc1C1=CCCCC1
InChIInChI=1S/C20H17NO2/c22-19-17-12-6-11-16(18(17)20(23)21-19)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h4-7,9-12H,1-3,8H2,(H,21,22,23)
InChIKeyJXHOANGCICETAJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.19
Rot. Bonds2

About 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione

4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione (PubChem CID 138377141) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione
PubChem CID138377141
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1ccccc1C1=CCCCC1
InChIInChI=1S/C20H17NO2/c22-19-17-12-6-11-16(18(17)20(23)21-19)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h4-7,9-12H,1-3,8H2,(H,21,22,23)
InChIKeyJXHOANGCICETAJ-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclobuten-1-yl)isoindole-1,3-dione
CID 158098721
1-(2-phenylphenyl)cycloheptene
CID 71332036
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(1E)-1-(2-chlorophenyl)cyclodecene
CID 165358965
2-(cyclopenten-1-yl)benzenethiol
CID 21222530
1-(cyclohexen-1-yl)-2-[2-(3-propan-2-ylphenyl)phenyl]benzene
CID 142394417
N-[2-(cyclohexen-1-yl)phenyl]methanimine
CID 146628867
1-(cyclohexen-1-yl)-2-ethynylbenzene
CID 175141580
5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride
CID 70142476
4-pyridin-4-ylisoindole-1,3-dione
CID 152780944
lithium isoindole-1,3-dione
CID 18764300
isoindole-1,3-dione;phosphane
CID 89428738

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione (CID 138377141) is 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2-c1ccccc1C1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione?
The InChIKey is JXHOANGCICETAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-19-17-12-6-11-16(18(17)20(23)21-19)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h4-7,9-12H,1-3,8H2,(H,21,22,23).
What are the key properties of 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione?
4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione has a molecular weight of 303.36 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 138377141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).