2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate

C10H12BrNO4 — CID 102356741

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H12BrNO4/c1-10(2,11)9(15)16-6-5-12-7(13)3-4-8(12)14/h3-4H,5-6H2,1-2H3
InChIKeyZMUHYPNUUXZGKE-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.63
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate

2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate (PubChem CID 102356741) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate
PubChem CID102356741
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H12BrNO4/c1-10(2,11)9(15)16-6-5-12-7(13)3-4-8(12)14/h3-4H,5-6H2,1-2H3
InChIKeyZMUHYPNUUXZGKE-UHFFFAOYSA-N
XLogP0.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate (CID 102356741) is 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate is CC(C)(Br)C(=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate?
The InChIKey is ZMUHYPNUUXZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-10(2,11)9(15)16-6-5-12-7(13)3-4-8(12)14/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate?
2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate has a molecular weight of 290.11 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 102356741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).