1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione

C15H20N2O4 — CID 175926594

IUPAC1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H20N2O4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21/h10-11H,1-9H2
InChIKeyHGCIQHSRPMJINX-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.84
Rot. Bonds3

About 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione

1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione (PubChem CID 175926594) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
PubChem CID175926594
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H20N2O4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21/h10-11H,1-9H2
InChIKeyHGCIQHSRPMJINX-UHFFFAOYSA-N
XLogP0.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione (CID 175926594) is 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is HGCIQHSRPMJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21/h10-11H,1-9H2.
What are the key properties of 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 292.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 175926594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).