(3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one

C15H15NO — CID 174263730

IUPAC(3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one
SMILESC=C/C=C1\c2c(ccc(C)c2C=C)C(=O)N1C
InChIInChI=1S/C15H15NO/c1-5-7-13-14-11(6-2)10(3)8-9-12(14)15(17)16(13)4/h5-9H,1-2H2,3-4H3/b13-7+
InChIKeyGSQRDKKMCBOZBH-NTUHNPAUSA-N
MW225.29 g/mol
LogP3.25
Rot. Bonds2

About (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one

(3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one (PubChem CID 174263730) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one.

Molecular Properties

Compound Name(3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one
PubChem CID174263730
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one
SMILESC=C/C=C1\c2c(ccc(C)c2C=C)C(=O)N1C
InChIInChI=1S/C15H15NO/c1-5-7-13-14-11(6-2)10(3)8-9-12(14)15(17)16(13)4/h5-9H,1-2H2,3-4H3/b13-7+
InChIKeyGSQRDKKMCBOZBH-NTUHNPAUSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one 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

N-Methylphthalimide
CID 11074
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
Phthalimidoacetone
CID 235046
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918
Naphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 795353

Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one?
The IUPAC name of (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one (CID 174263730) is (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one.
What is the SMILES notation for (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one?
The canonical SMILES for (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one is C=C/C=C1\c2c(ccc(C)c2C=C)C(=O)N1C.
What is the InChIKey of (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one?
The InChIKey is GSQRDKKMCBOZBH-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H15NO/c1-5-7-13-14-11(6-2)10(3)8-9-12(14)15(17)16(13)4/h5-9H,1-2H2,3-4H3/b13-7+.
What are the key properties of (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one?
(3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-ethenyl-2,5-dimethyl-3-prop-2-enylideneisoindol-1-one is sourced from PubChem (CID 174263730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).