5-methyl-4-prop-2-enylisoindole-1,3-dione

C12H11NO2 — CID 90862638

IUPAC5-methyl-4-prop-2-enylisoindole-1,3-dione
SMILESC=CCc1c(C)ccc2c1C(=O)NC2=O
InChIInChI=1S/C12H11NO2/c1-3-4-8-7(2)5-6-9-10(8)12(15)13-11(9)14/h3,5-6H,1,4H2,2H3,(H,13,14,15)
InChIKeyUKMVOYMFVWVLBJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.61
Rot. Bonds2

About 5-methyl-4-prop-2-enylisoindole-1,3-dione

5-methyl-4-prop-2-enylisoindole-1,3-dione (PubChem CID 90862638) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-methyl-4-prop-2-enylisoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-4-prop-2-enylisoindole-1,3-dione
PubChem CID90862638
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-methyl-4-prop-2-enylisoindole-1,3-dione
SMILESC=CCc1c(C)ccc2c1C(=O)NC2=O
InChIInChI=1S/C12H11NO2/c1-3-4-8-7(2)5-6-9-10(8)12(15)13-11(9)14/h3,5-6H,1,4H2,2H3,(H,13,14,15)
InChIKeyUKMVOYMFVWVLBJ-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-2-enylisoindole-1,3-dione?
The IUPAC name of 5-methyl-4-prop-2-enylisoindole-1,3-dione (CID 90862638) is 5-methyl-4-prop-2-enylisoindole-1,3-dione.
What is the SMILES notation for 5-methyl-4-prop-2-enylisoindole-1,3-dione?
The canonical SMILES for 5-methyl-4-prop-2-enylisoindole-1,3-dione is C=CCc1c(C)ccc2c1C(=O)NC2=O.
What is the InChIKey of 5-methyl-4-prop-2-enylisoindole-1,3-dione?
The InChIKey is UKMVOYMFVWVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-3-4-8-7(2)5-6-9-10(8)12(15)13-11(9)14/h3,5-6H,1,4H2,2H3,(H,13,14,15).
What are the key properties of 5-methyl-4-prop-2-enylisoindole-1,3-dione?
5-methyl-4-prop-2-enylisoindole-1,3-dione has a molecular weight of 201.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-2-enylisoindole-1,3-dione is sourced from PubChem (CID 90862638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).