2-(cyclohexyloxymethyl)isoindole-1,3-dione

C15H17NO3 — CID 747491

IUPAC2-(cyclohexyloxymethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1COC1CCCCC1
InChIInChI=1S/C15H17NO3/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyTVXSIGXFQJVHJX-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.59
Rot. Bonds3

About 2-(cyclohexyloxymethyl)isoindole-1,3-dione

2-(cyclohexyloxymethyl)isoindole-1,3-dione (PubChem CID 747491) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(cyclohexyloxymethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(cyclohexyloxymethyl)isoindole-1,3-dione
PubChem CID747491
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(cyclohexyloxymethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1COC1CCCCC1
InChIInChI=1S/C15H17NO3/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyTVXSIGXFQJVHJX-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethyl)isoindole-1,3-dione?
The IUPAC name of 2-(cyclohexyloxymethyl)isoindole-1,3-dione (CID 747491) is 2-(cyclohexyloxymethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(cyclohexyloxymethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(cyclohexyloxymethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1COC1CCCCC1.
What is the InChIKey of 2-(cyclohexyloxymethyl)isoindole-1,3-dione?
The InChIKey is TVXSIGXFQJVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 2-(cyclohexyloxymethyl)isoindole-1,3-dione?
2-(cyclohexyloxymethyl)isoindole-1,3-dione has a molecular weight of 259.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethyl)isoindole-1,3-dione is sourced from PubChem (CID 747491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).