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

C14H13N3O3 — CID 118527125

IUPAC5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(N)cc3C2=O)C(=O)N1
InChIInChI=1S/C14H13N3O3/c1-7-2-5-11(12(18)16-7)17-13(19)9-4-3-8(15)6-10(9)14(17)20/h3-4,6,11H,1-2,5,15H2,(H,16,18)
InChIKeyBNBOLIVNXYTFFE-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.66
Rot. Bonds1

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

5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 118527125) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID118527125
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(N)cc3C2=O)C(=O)N1
InChIInChI=1S/C14H13N3O3/c1-7-2-5-11(12(18)16-7)17-13(19)9-4-3-8(15)6-10(9)14(17)20/h3-4,6,11H,1-2,5,15H2,(H,16,18)
InChIKeyBNBOLIVNXYTFFE-UHFFFAOYSA-N
XLogP0.66
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
5-(4-aminopiperazin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 146420442
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
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-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)isoindole-1,3-dione
CID 157230699
2-(6-methylidene-2-sulfanylidenepiperidin-3-yl)isoindole-1,3-dione
CID 88912228
8-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6-oxooctanoic acid
CID 148674533
2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 167615591
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
5-[[(3-aminophenyl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167738128
5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176816727

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 118527125) is 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(N)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is BNBOLIVNXYTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-2-5-11(12(18)16-7)17-13(19)9-4-3-8(15)6-10(9)14(17)20/h3-4,6,11H,1-2,5,15H2,(H,16,18).
What are the key properties of 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 271.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 118527125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).