pentanedioic acid;piperidine-2,6-dione

C10H15NO6 — CID 175379041

IUPACpentanedioic acid;piperidine-2,6-dione
SMILESO=C(O)CCCC(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C5H8O4/c7-4-2-1-3-5(8)6-4;6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7,8);1-3H2,(H,6,7)(H,8,9)
InChIKeyXVXJATDHNPMNEE-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.14
Rot. Bonds4

About pentanedioic acid;piperidine-2,6-dione

pentanedioic acid;piperidine-2,6-dione (PubChem CID 175379041) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is pentanedioic acid;piperidine-2,6-dione.

Molecular Properties

Compound Namepentanedioic acid;piperidine-2,6-dione
PubChem CID175379041
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Namepentanedioic acid;piperidine-2,6-dione
SMILESO=C(O)CCCC(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C5H8O4/c7-4-2-1-3-5(8)6-4;6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7,8);1-3H2,(H,6,7)(H,8,9)
InChIKeyXVXJATDHNPMNEE-UHFFFAOYSA-N
XLogP0.14
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione
CID 175340488
sodium piperidine-2,6-dione
CID 22619648
piperidine-2,6-dione;prop-2-enoic acid
CID 69098530
5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid
CID 91603937
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
CID 155715117
piperidine-2,6-dione;terephthalic acid
CID 175551012
formic acid;piperidine-2,6-dione
CID 175983353
1,2-dibromoethane;piperidine-2,6-dione
CID 160540875
imidazolidin-2-one;pentanedioic acid
CID 139045417
4-methoxy-4-oxobutanoic acid;pyrrolidine-2,5-dione
CID 70093227
oxalic acid;pyrrolidine-2,5-dione
CID 19913999
oxalic acid;bis(pyrrolidine-2,5-dione)
CID 175829217

Frequently Asked Questions

What is the IUPAC name of pentanedioic acid;piperidine-2,6-dione?
The IUPAC name of pentanedioic acid;piperidine-2,6-dione (CID 175379041) is pentanedioic acid;piperidine-2,6-dione.
What is the SMILES notation for pentanedioic acid;piperidine-2,6-dione?
The canonical SMILES for pentanedioic acid;piperidine-2,6-dione is O=C(O)CCCC(=O)O.O=C1CCCC(=O)N1.
What is the InChIKey of pentanedioic acid;piperidine-2,6-dione?
The InChIKey is XVXJATDHNPMNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C5H8O4/c7-4-2-1-3-5(8)6-4;6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7,8);1-3H2,(H,6,7)(H,8,9).
What are the key properties of pentanedioic acid;piperidine-2,6-dione?
pentanedioic acid;piperidine-2,6-dione has a molecular weight of 245.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentanedioic acid;piperidine-2,6-dione is sourced from PubChem (CID 175379041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).