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

C18H28N2O4 — CID 22101699

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-8-9-14(19-15(21)10-11-16(19)22)20-17(23)12-13-18(20)24/h14H,2-13H2,1H3
InChIKeyQFLUWQYEIDPLCS-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.75
Rot. Bonds10

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

1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione (PubChem CID 22101699) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione
PubChem CID22101699
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-8-9-14(19-15(21)10-11-16(19)22)20-17(23)12-13-18(20)24/h14H,2-13H2,1H3
InChIKeyQFLUWQYEIDPLCS-UHFFFAOYSA-N
XLogP2.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.75
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-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione (CID 22101699) is 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione is CCCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione?
The InChIKey is QFLUWQYEIDPLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-8-9-14(19-15(21)10-11-16(19)22)20-17(23)12-13-18(20)24/h14H,2-13H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione has a molecular weight of 336.43 g/mol, XLogP of 2.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)decyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22101699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).