2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione

C17H17NO2 — CID 172639657

IUPAC2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC=C=C1CCCCC1
InChIInChI=1S/C17H17NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h4-6,10-11H,1-3,7-8,12H2
InChIKeyHPOQUABRZFOWAV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.33
Rot. Bonds2

About 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione

2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione (PubChem CID 172639657) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione
PubChem CID172639657
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC=C=C1CCCCC1
InChIInChI=1S/C17H17NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h4-6,10-11H,1-3,7-8,12H2
InChIKeyHPOQUABRZFOWAV-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
CID 18695517
2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
CID 89172829
CID 89172829
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
[4-[2-(1,3-dioxoisoindol-2-yl)ethylidene]piperidin-1-yl]-methylborinic acid
CID 58804139
2-[(2S)-2-amino-3-cyclohexylpropyl]isoindole-1,3-dione
CID 67066117
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968
2-[2-(1-butylpiperidin-4-ylidene)ethyl]isoindole-1,3-dione
CID 18695520
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-[(2E,4Z)-5-sulfanylpenta-2,4-dienyl]isoindole-1,3-dione
CID 143478866
2-bromo-3-(1,3-dioxoisoindol-2-yl)propanenitrile
CID 154710163
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
CID 24906032

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione (CID 172639657) is 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC=C=C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione?
The InChIKey is HPOQUABRZFOWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h4-6,10-11H,1-3,7-8,12H2.
What are the key properties of 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione?
2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione has a molecular weight of 267.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione is sourced from PubChem (CID 172639657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).