4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione

C15H17NO4 — CID 100641860

IUPAC4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione
SMILESCOc1c(C)c(OCC=C(C)C)cc2c1C(=O)NC2=O
InChIInChI=1S/C15H17NO4/c1-8(2)5-6-20-11-7-10-12(13(19-4)9(11)3)15(18)16-14(10)17/h5,7H,6H2,1-4H3,(H,16,17,18)
InChIKeyZSSDQYBHZQJKGP-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.23
Rot. Bonds4

About 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione

4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione (PubChem CID 100641860) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione
PubChem CID100641860
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione
SMILESCOc1c(C)c(OCC=C(C)C)cc2c1C(=O)NC2=O
InChIInChI=1S/C15H17NO4/c1-8(2)5-6-20-11-7-10-12(13(19-4)9(11)3)15(18)16-14(10)17/h5,7H,6H2,1-4H3,(H,16,17,18)
InChIKeyZSSDQYBHZQJKGP-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione?
The IUPAC name of 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione (CID 100641860) is 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione.
What is the SMILES notation for 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione?
The canonical SMILES for 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione is COc1c(C)c(OCC=C(C)C)cc2c1C(=O)NC2=O.
What is the InChIKey of 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione?
The InChIKey is ZSSDQYBHZQJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8(2)5-6-20-11-7-10-12(13(19-4)9(11)3)15(18)16-14(10)17/h5,7H,6H2,1-4H3,(H,16,17,18).
What are the key properties of 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione?
4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione has a molecular weight of 275.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindole-1,3-dione is sourced from PubChem (CID 100641860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).