6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione

C14H18N2O6 — CID 155715117

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
SMILESO=C(O)CCCCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C10H13NO4.C4H5NO2/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6-3-1-2-4(7)5-3/h5-6H,1-4,7H2,(H,14,15);1-2H2,(H,5,6,7)
InChIKeyDUEOLHSRCFOCMA-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.02
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione

6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione (PubChem CID 155715117) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
PubChem CID155715117
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
SMILESO=C(O)CCCCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C10H13NO4.C4H5NO2/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6-3-1-2-4(7)5-3/h5-6H,1-4,7H2,(H,14,15);1-2H2,(H,5,6,7)
InChIKeyDUEOLHSRCFOCMA-UHFFFAOYSA-N
XLogP-0.02
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
1-[6-(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 19026030
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione
CID 177144723
CID 170745532
CID 170745532
pentanedioic acid;piperidine-2,6-dione
CID 175379041
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
22-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-20-oxodocosanoic acid
CID 123221615
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034105
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione (CID 155715117) is 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione is O=C(O)CCCCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione?
The InChIKey is DUEOLHSRCFOCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.C4H5NO2/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6-3-1-2-4(7)5-3/h5-6H,1-4,7H2,(H,14,15);1-2H2,(H,5,6,7).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione?
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione has a molecular weight of 310.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 155715117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).