2-hept-6-enoxyisoindole-1,3-dione

C15H17NO3 — CID 162768811

IUPAC2-hept-6-enoxyisoindole-1,3-dione
SMILESC=CCCCCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO3/c1-2-3-4-5-8-11-19-16-14(17)12-9-6-7-10-13(12)15(16)18/h2,6-7,9-10H,1,3-5,8,11H2
InChIKeyUVJSQXXNWLOFTK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.96
Rot. Bonds7

About 2-hept-6-enoxyisoindole-1,3-dione

2-hept-6-enoxyisoindole-1,3-dione (PubChem CID 162768811) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hept-6-enoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-hept-6-enoxyisoindole-1,3-dione
PubChem CID162768811
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-hept-6-enoxyisoindole-1,3-dione
SMILESC=CCCCCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO3/c1-2-3-4-5-8-11-19-16-14(17)12-9-6-7-10-13(12)15(16)18/h2,6-7,9-10H,1,3-5,8,11H2
InChIKeyUVJSQXXNWLOFTK-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-methylidene-2-pent-4-enoxyisoindol-1-one
CID 123151473
2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate
CID 130304736
2-non-8-enoxy-2-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-yne
CID 167299439
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-undeca-1,10-dien-6-ylisoindole-1,3-dione
CID 11323980
2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione
CID 159790407
2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414

Frequently Asked Questions

What is the IUPAC name of 2-hept-6-enoxyisoindole-1,3-dione?
The IUPAC name of 2-hept-6-enoxyisoindole-1,3-dione (CID 162768811) is 2-hept-6-enoxyisoindole-1,3-dione.
What is the SMILES notation for 2-hept-6-enoxyisoindole-1,3-dione?
The canonical SMILES for 2-hept-6-enoxyisoindole-1,3-dione is C=CCCCCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-hept-6-enoxyisoindole-1,3-dione?
The InChIKey is UVJSQXXNWLOFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-4-5-8-11-19-16-14(17)12-9-6-7-10-13(12)15(16)18/h2,6-7,9-10H,1,3-5,8,11H2.
What are the key properties of 2-hept-6-enoxyisoindole-1,3-dione?
2-hept-6-enoxyisoindole-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-enoxyisoindole-1,3-dione is sourced from PubChem (CID 162768811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).