2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione

C15H13N3O4 — CID 139469799

IUPAC2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
SMILESC=Nc1ccc2c(c1)C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C15H13N3O4/c1-16-8-3-4-9-10(7-8)14(21)18(13(9)20)11-5-6-12(19)17(2)15(11)22/h3-4,7,11H,1,5-6H2,2H3
InChIKeyOSNOSHLEODNFOS-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.76
Rot. Bonds2

About 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione

2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione (PubChem CID 139469799) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
PubChem CID139469799
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
SMILESC=Nc1ccc2c(c1)C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C15H13N3O4/c1-16-8-3-4-9-10(7-8)14(21)18(13(9)20)11-5-6-12(19)17(2)15(11)22/h3-4,7,11H,1,5-6H2,2H3
InChIKeyOSNOSHLEODNFOS-UHFFFAOYSA-N
XLogP0.76
TPSA87.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylisoindole-1,3-dione
CID 174332878
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
CID 170640142
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione
CID 69247749
1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598094
2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 11289629
tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158357377
1-methyl-3-pyrrolidin-1-ylpiperidine-2,6-dione
CID 170067899
2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
CID 11417136
6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione
CID 118441402

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione?
The IUPAC name of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione (CID 139469799) is 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione?
The canonical SMILES for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione is C=Nc1ccc2c(c1)C(=O)N(C1CCC(=O)N(C)C1=O)C2=O.
What is the InChIKey of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione?
The InChIKey is OSNOSHLEODNFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-16-8-3-4-9-10(7-8)14(21)18(13(9)20)11-5-6-12(19)17(2)15(11)22/h3-4,7,11H,1,5-6H2,2H3.
What are the key properties of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione?
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione has a molecular weight of 299.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione is sourced from PubChem (CID 139469799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).