2-pentadec-14-enylisoindole-1,3-dione

C23H33NO2 — CID 140882474

IUPAC2-pentadec-14-enylisoindole-1,3-dione
SMILESC=CCCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-24-22(25)20-17-14-15-18-21(20)23(24)26/h2,14-15,17-18H,1,3-13,16,19H2
InChIKeyWVQUQZDETGTKJF-UHFFFAOYSA-N
MW355.52 g/mol
LogP6.15
Rot. Bonds14

About 2-pentadec-14-enylisoindole-1,3-dione

2-pentadec-14-enylisoindole-1,3-dione (PubChem CID 140882474) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-pentadec-14-enylisoindole-1,3-dione.

Molecular Properties

Compound Name2-pentadec-14-enylisoindole-1,3-dione
PubChem CID140882474
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name2-pentadec-14-enylisoindole-1,3-dione
SMILESC=CCCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-24-22(25)20-17-14-15-18-21(20)23(24)26/h2,14-15,17-18H,1,3-13,16,19H2
InChIKeyWVQUQZDETGTKJF-UHFFFAOYSA-N
XLogP6.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[22-(1,3-dioxoisoindol-2-yl)docosa-10,12-dienyl]isoindole-1,3-dione
CID 142691970
2-[6-(1,3-dioxoisoindol-2-yl)hexylidene]propanedioic acid
CID 57182197
3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483783
CID 88976080
CID 88976080
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 57427465
CID 57427465
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
4-(1,3-dioxoisoindol-2-yl)butanal;ethane
CID 145335589
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228

Frequently Asked Questions

What is the IUPAC name of 2-pentadec-14-enylisoindole-1,3-dione?
The IUPAC name of 2-pentadec-14-enylisoindole-1,3-dione (CID 140882474) is 2-pentadec-14-enylisoindole-1,3-dione.
What is the SMILES notation for 2-pentadec-14-enylisoindole-1,3-dione?
The canonical SMILES for 2-pentadec-14-enylisoindole-1,3-dione is C=CCCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-pentadec-14-enylisoindole-1,3-dione?
The InChIKey is WVQUQZDETGTKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-24-22(25)20-17-14-15-18-21(20)23(24)26/h2,14-15,17-18H,1,3-13,16,19H2.
What are the key properties of 2-pentadec-14-enylisoindole-1,3-dione?
2-pentadec-14-enylisoindole-1,3-dione has a molecular weight of 355.52 g/mol, XLogP of 6.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadec-14-enylisoindole-1,3-dione is sourced from PubChem (CID 140882474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).