1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione

C15H22N2O4 — CID 118459070

IUPAC1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CN2C(=O)CC(C(C)C)C2=O)C1=O
InChIInChI=1S/C15H22N2O4/c1-8(2)10-5-12(18)16(14(10)20)7-17-13(19)6-11(9(3)4)15(17)21/h8-11H,5-7H2,1-4H3
InChIKeyMOWMIEOKQPLZME-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.01
Rot. Bonds4

About 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 118459070) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID118459070
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CN2C(=O)CC(C(C)C)C2=O)C1=O
InChIInChI=1S/C15H22N2O4/c1-8(2)10-5-12(18)16(14(10)20)7-17-13(19)6-11(9(3)4)15(17)21/h8-11H,5-7H2,1-4H3
InChIKeyMOWMIEOKQPLZME-UHFFFAOYSA-N
XLogP1.01
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.01
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-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 118459070) is 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1CC(=O)N(CN2C(=O)CC(C(C)C)C2=O)C1=O.
What is the InChIKey of 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is MOWMIEOKQPLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(2)10-5-12(18)16(14(10)20)7-17-13(19)6-11(9(3)4)15(17)21/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 118459070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).