3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione

C14H14N2O2 — CID 165027847

IUPAC3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESC=C1c2ccccc2CN1C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N2O2/c1-9-11-5-3-2-4-10(11)8-16(9)12-6-7-13(17)15-14(12)18/h2-5,12H,1,6-8H2,(H,15,17,18)
InChIKeyZMLCEMBXBPQVBF-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.28
Rot. Bonds1

About 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione

3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 165027847) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID165027847
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESC=C1c2ccccc2CN1C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N2O2/c1-9-11-5-3-2-4-10(11)8-16(9)12-6-7-13(17)15-14(12)18/h2-5,12H,1,6-8H2,(H,15,17,18)
InChIKeyZMLCEMBXBPQVBF-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 170177680
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-[6-[2-(2,6-difluorophenyl)-2-fluoroethyl]-3-methylidene-1H-isoindol-2-yl]piperidine-2,6-dione
CID 139456837
3-(2-methyl-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 69335531
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione (CID 165027847) is 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione is C=C1c2ccccc2CN1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is ZMLCEMBXBPQVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-11-5-3-2-4-10(11)8-16(9)12-6-7-13(17)15-14(12)18/h2-5,12H,1,6-8H2,(H,15,17,18).
What are the key properties of 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 242.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 165027847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).