4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C15H14N2O3 — CID 145202026

IUPAC4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(C)c3C2=O)C(=O)N1
InChIInChI=1S/C15H14N2O3/c1-8-4-3-5-10-12(8)15(20)17(14(10)19)11-7-6-9(2)16-13(11)18/h3-5,11H,2,6-7H2,1H3,(H,16,18)
InChIKeyUISQYFBMDZXPFE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.38
Rot. Bonds1

About 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 145202026) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID145202026
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(C)c3C2=O)C(=O)N1
InChIInChI=1S/C15H14N2O3/c1-8-4-3-5-10-12(8)15(20)17(14(10)19)11-7-6-9(2)16-13(11)18/h3-5,11H,2,6-7H2,1H3,(H,16,18)
InChIKeyUISQYFBMDZXPFE-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanal
CID 145256106
[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxoisoindol-4-yl]methylcarbamic acid
CID 89387907
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
1,1-diethyl-3-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]urea
CID 21040121
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 145202026) is 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(C)c3C2=O)C(=O)N1.
What is the InChIKey of 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is UISQYFBMDZXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-4-3-5-10-12(8)15(20)17(14(10)19)11-7-6-9(2)16-13(11)18/h3-5,11H,2,6-7H2,1H3,(H,16,18).
What are the key properties of 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 270.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 145202026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).