3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione

C16H22N2O4 — CID 118894959

IUPAC3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C2CCCCC2N2C(=O)CC(C)C2=O)C1=O
InChIInChI=1S/C16H22N2O4/c1-9-7-13(19)17(15(9)21)11-5-3-4-6-12(11)18-14(20)8-10(2)16(18)22/h9-12H,3-8H2,1-2H3
InChIKeyRHCZYQNTLDMNOH-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.09
Rot. Bonds2

About 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione

3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 118894959) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione
PubChem CID118894959
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C2CCCCC2N2C(=O)CC(C)C2=O)C1=O
InChIInChI=1S/C16H22N2O4/c1-9-7-13(19)17(15(9)21)11-5-3-4-6-12(11)18-14(20)8-10(2)16(18)22/h9-12H,3-8H2,1-2H3
InChIKeyRHCZYQNTLDMNOH-UHFFFAOYSA-N
XLogP1.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.09
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 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione (CID 118894959) is 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione is CC1CC(=O)N(C2CCCCC2N2C(=O)CC(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is RHCZYQNTLDMNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-9-7-13(19)17(15(9)21)11-5-3-4-6-12(11)18-14(20)8-10(2)16(18)22/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 306.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118894959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).