(2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate

C11H15NO4 — CID 58803607

IUPAC(2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO4/c1-4-11(2,3)10(15)16-7-12-8(13)5-6-9(12)14/h5-6H,4,7H2,1-3H3
InChIKeyUVPKILLZUIYMTN-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.85
Rot. Bonds4

About (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate

(2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate (PubChem CID 58803607) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate
PubChem CID58803607
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO4/c1-4-11(2,3)10(15)16-7-12-8(13)5-6-9(12)14/h5-6H,4,7H2,1-3H3
InChIKeyUVPKILLZUIYMTN-UHFFFAOYSA-N
XLogP0.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.85
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 (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate (CID 58803607) is (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate?
The InChIKey is UVPKILLZUIYMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-11(2,3)10(15)16-7-12-8(13)5-6-9(12)14/h5-6H,4,7H2,1-3H3.
What are the key properties of (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate?
(2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate has a molecular weight of 225.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)methyl 2,2-dimethylbutanoate is sourced from PubChem (CID 58803607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).