(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate

C17H22N2O6 — CID 89021199

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate
SMILESCCCC(CCCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O6/c1-2-5-12(17(24)25-19-15(22)9-10-16(19)23)6-3-4-11-18-13(20)7-8-14(18)21/h7-8,12H,2-6,9-11H2,1H3
InChIKeyKWJANEPNYVRSEM-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.11
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate

(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate (PubChem CID 89021199) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate
PubChem CID89021199
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate
SMILESCCCC(CCCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O6/c1-2-5-12(17(24)25-19-15(22)9-10-16(19)23)6-3-4-11-18-13(20)7-8-14(18)21/h7-8,12H,2-6,9-11H2,1H3
InChIKeyKWJANEPNYVRSEM-UHFFFAOYSA-N
XLogP1.11
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate (CID 89021199) is (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate is CCCC(CCCCN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate?
The InChIKey is KWJANEPNYVRSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-2-5-12(17(24)25-19-15(22)9-10-16(19)23)6-3-4-11-18-13(20)7-8-14(18)21/h7-8,12H,2-6,9-11H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate has a molecular weight of 350.37 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)-2-propylhexanoate is sourced from PubChem (CID 89021199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).