1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione

C15H17NO2 — CID 67612075

IUPAC1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione
SMILESC=CCn1c(C)c2c(c1C)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C15H17NO2/c1-6-7-16-10(4)12-13(11(16)5)15(18)9(3)8(2)14(12)17/h6H,1,7H2,2-5H3
InChIKeyXSEOOVIFSRVCSK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.01
Rot. Bonds2

About 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione

1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione (PubChem CID 67612075) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione.

Molecular Properties

Compound Name1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione
PubChem CID67612075
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione
SMILESC=CCn1c(C)c2c(c1C)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C15H17NO2/c1-6-7-16-10(4)12-13(11(16)5)15(18)9(3)8(2)14(12)17/h6H,1,7H2,2-5H3
InChIKeyXSEOOVIFSRVCSK-UHFFFAOYSA-N
XLogP3.01
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
1,3-diamino-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 139913241
1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
5,6-dimethyl-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 10262098
2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 15185490
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 176847513
4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one
CID 54224698
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 138624759
1-(2-hydroxypropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70008029
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511
1,4,6-trimethyl-3-prop-2-enylpyrimidin-1-ium-2-one chloride
CID 68907368

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione?
The IUPAC name of 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione (CID 67612075) is 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione.
What is the SMILES notation for 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione?
The canonical SMILES for 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione is C=CCn1c(C)c2c(c1C)C(=O)C(C)=C(C)C2=O.
What is the InChIKey of 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione?
The InChIKey is XSEOOVIFSRVCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-6-7-16-10(4)12-13(11(16)5)15(18)9(3)8(2)14(12)17/h6H,1,7H2,2-5H3.
What are the key properties of 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione?
1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione has a molecular weight of 243.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione is sourced from PubChem (CID 67612075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).