5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C14H12N2O4 — CID 142596962

IUPAC5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1
InChIInChI=1S/C14H12N2O4/c1-7-2-5-11(12(18)15-7)16-13(19)9-4-3-8(17)6-10(9)14(16)20/h3-4,6,11,17H,1-2,5H2,(H,15,18)
InChIKeyKYMWEHYLTHBNFV-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.78
Rot. Bonds1

About 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 142596962) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID142596962
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1
InChIInChI=1S/C14H12N2O4/c1-7-2-5-11(12(18)15-7)16-13(19)9-4-3-8(17)6-10(9)14(16)20/h3-4,6,11,17H,1-2,5H2,(H,15,18)
InChIKeyKYMWEHYLTHBNFV-UHFFFAOYSA-N
XLogP0.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
5-(4-aminopiperazin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 146420442
2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)isoindole-1,3-dione
CID 157230699
8-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6-oxooctanoic acid
CID 148674533
2-(2,4-dioxocyclohexyl)-5-hydroxyisoindole-1,3-dione
CID 161197448
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]isoindole-1,3-dione
CID 162439055
2-(6-methylidene-2-sulfanylidenepiperidin-3-yl)isoindole-1,3-dione
CID 88912228
2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 167615591
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]boronic acid
CID 177125946
5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione
CID 174121381

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 142596962) is 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KYMWEHYLTHBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-2-5-11(12(18)15-7)16-13(19)9-4-3-8(17)6-10(9)14(16)20/h3-4,6,11,17H,1-2,5H2,(H,15,18).
What are the key properties of 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 272.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 142596962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).