6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate

C14H16N2O7 — CID 139457970

IUPAC6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate
SMILESO=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1CC=CC1=O
InChIInChI=1S/C14H16N2O7/c17-10-4-3-9-15(10)22-13(20)5-1-2-6-14(21)23-16-11(18)7-8-12(16)19/h3-4H,1-2,5-9H2
InChIKeyJARICZJEFFUBLR-UHFFFAOYSA-N
MW324.29 g/mol
LogP0.01
Rot. Bonds7

About 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate

6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate (PubChem CID 139457970) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate.

Molecular Properties

Compound Name6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate
PubChem CID139457970
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate
SMILESO=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1CC=CC1=O
InChIInChI=1S/C14H16N2O7/c17-10-4-3-9-15(10)22-13(20)5-1-2-6-14(21)23-16-11(18)7-8-12(16)19/h3-4H,1-2,5-9H2
InChIKeyJARICZJEFFUBLR-UHFFFAOYSA-N
XLogP0.01
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate?
The IUPAC name of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate (CID 139457970) is 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate.
What is the SMILES notation for 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate?
The canonical SMILES for 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate is O=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1CC=CC1=O.
What is the InChIKey of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate?
The InChIKey is JARICZJEFFUBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7/c17-10-4-3-9-15(10)22-13(20)5-1-2-6-14(21)23-16-11(18)7-8-12(16)19/h3-4H,1-2,5-9H2.
What are the key properties of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate?
6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate has a molecular weight of 324.29 g/mol, XLogP of 0.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(5-oxo-2H-pyrrol-1-yl) hexanedioate is sourced from PubChem (CID 139457970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).