furan-2,3-dicarboxylic acid;piperidine-2,6-dione

C11H11NO7 — CID 175955760

IUPACfuran-2,3-dicarboxylic acid;piperidine-2,6-dione
SMILESO=C(O)c1ccoc1C(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C6H4O5.C5H7NO2/c7-5(8)3-1-2-11-4(3)6(9)10;7-4-2-1-3-5(8)6-4/h1-2H,(H,7,8)(H,9,10);1-3H2,(H,6,7,8)
InChIKeyLKKIISVLBNABBQ-UHFFFAOYSA-N
MW269.21 g/mol
LogP0.49
Rot. Bonds2

About furan-2,3-dicarboxylic acid;piperidine-2,6-dione

furan-2,3-dicarboxylic acid;piperidine-2,6-dione (PubChem CID 175955760) has the molecular formula C11H11NO7 and a molecular weight of 269.21 g/mol. Its IUPAC name is furan-2,3-dicarboxylic acid;piperidine-2,6-dione.

Molecular Properties

Compound Namefuran-2,3-dicarboxylic acid;piperidine-2,6-dione
PubChem CID175955760
Molecular FormulaC11H11NO7
Molecular Weight269.21 g/mol
Exact Mass269.05
IUPAC Namefuran-2,3-dicarboxylic acid;piperidine-2,6-dione
SMILESO=C(O)c1ccoc1C(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C6H4O5.C5H7NO2/c7-5(8)3-1-2-11-4(3)6(9)10;7-4-2-1-3-5(8)6-4/h1-2H,(H,7,8)(H,9,10);1-3H2,(H,6,7,8)
InChIKeyLKKIISVLBNABBQ-UHFFFAOYSA-N
XLogP0.49
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxycarbonylfuran-2-carboxylic acid
CID 135185947
Ethene;furan-2,3-dicarboxylic acid
CID 138685074
Ethane-1,2-diol;furan-2,3-dicarboxylic acid
CID 158056617
Furan-2,3-dicarboxylic acid;pentane-1,1-diamine
CID 161441475
Furan-2,3-dicarboxylic acid;propane-1,3-diol
CID 169795150
Butane-1,4-diol;furan-2,3-dicarboxylic acid
CID 174665492
Furan-2,3-dicarboxylic acid;isocyanic acid
CID 174706835
Ethenyl acetate;furan-2,3-dicarboxylic acid
CID 174805818
3-Butoxycarbonylfuran-2-carboxylic acid
CID 174955141
(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid
CID 174974334
3-Propoxycarbonylfuran-2-carboxylic acid
CID 175183173
Furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)
CID 175498641

Frequently Asked Questions

What is the IUPAC name of furan-2,3-dicarboxylic acid;piperidine-2,6-dione?
The IUPAC name of furan-2,3-dicarboxylic acid;piperidine-2,6-dione (CID 175955760) is furan-2,3-dicarboxylic acid;piperidine-2,6-dione.
What is the SMILES notation for furan-2,3-dicarboxylic acid;piperidine-2,6-dione?
The canonical SMILES for furan-2,3-dicarboxylic acid;piperidine-2,6-dione is O=C(O)c1ccoc1C(=O)O.O=C1CCCC(=O)N1.
What is the InChIKey of furan-2,3-dicarboxylic acid;piperidine-2,6-dione?
The InChIKey is LKKIISVLBNABBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C5H7NO2/c7-5(8)3-1-2-11-4(3)6(9)10;7-4-2-1-3-5(8)6-4/h1-2H,(H,7,8)(H,9,10);1-3H2,(H,6,7,8).
What are the key properties of furan-2,3-dicarboxylic acid;piperidine-2,6-dione?
furan-2,3-dicarboxylic acid;piperidine-2,6-dione has a molecular weight of 269.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,3-dicarboxylic acid;piperidine-2,6-dione is sourced from PubChem (CID 175955760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).