2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione

C25H21NO3 — CID 23964124

IUPAC2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H21NO3/c27-24-21-11-5-6-12-22(21)25(28)26(24)15-16-29-23-19-9-3-1-7-17(19)13-14-18-8-2-4-10-20(18)23/h1-12,23H,13-16H2
InChIKeyCRANEFQENVYTEM-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.19
Rot. Bonds4

About 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione

2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione (PubChem CID 23964124) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
PubChem CID23964124
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H21NO3/c27-24-21-11-5-6-12-22(21)25(28)26(24)15-16-29-23-19-9-3-1-7-17(19)13-14-18-8-2-4-10-20(18)23/h1-12,23H,13-16H2
InChIKeyCRANEFQENVYTEM-UHFFFAOYSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
CID 63870873
2-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethyl]isoindole-1,3-dione
CID 123735007
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
CID 6924140
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one
CID 63870034
2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
CID 23283664
2-[4-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]isoindole-1,3-dione
CID 30344627
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione (CID 23964124) is 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione?
The InChIKey is CRANEFQENVYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-24-21-11-5-6-12-22(21)25(28)26(24)15-16-29-23-19-9-3-1-7-17(19)13-14-18-8-2-4-10-20(18)23/h1-12,23H,13-16H2.
What are the key properties of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione?
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione has a molecular weight of 383.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 23964124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).