1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione

C15H22N2O4 — CID 21472965

IUPAC1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C15H22N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h1-11H2
InChIKeyBZODTHSUVYIDSR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.23
Rot. Bonds8

About 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione

1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione (PubChem CID 21472965) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione
PubChem CID21472965
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C15H22N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h1-11H2
InChIKeyBZODTHSUVYIDSR-UHFFFAOYSA-N
XLogP1.23
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione (CID 21472965) is 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione?
The InChIKey is BZODTHSUVYIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h1-11H2.
What are the key properties of 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione?
1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,5-dioxopyrrolidin-1-yl)heptyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 21472965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).