(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate

C15H18N2O6 — CID 134355892

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
SMILESCC(CC(C)(C)C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O6/c1-9(16-10(18)4-5-11(16)19)8-15(2,3)14(22)23-17-12(20)6-7-13(17)21/h4-5,9H,6-8H2,1-3H3
InChIKeySPYDVXAGALFIDG-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.32
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate (PubChem CID 134355892) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
PubChem CID134355892
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
SMILESCC(CC(C)(C)C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O6/c1-9(16-10(18)4-5-11(16)19)8-15(2,3)14(22)23-17-12(20)6-7-13(17)21/h4-5,9H,6-8H2,1-3H3
InChIKeySPYDVXAGALFIDG-UHFFFAOYSA-N
XLogP0.32
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate (CID 134355892) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate is CC(CC(C)(C)C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
The InChIKey is SPYDVXAGALFIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-9(16-10(18)4-5-11(16)19)8-15(2,3)14(22)23-17-12(20)6-7-13(17)21/h4-5,9H,6-8H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate has a molecular weight of 322.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate is sourced from PubChem (CID 134355892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).