2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate

C12H15NO4 — CID 3017452

IUPAC2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C12H15NO4/c1-7(2)12(16)17-6-5-13-10(14)8(3)9(4)11(13)15/h1,5-6H2,2-4H3
InChIKeyMTFZCGPANOZASK-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.81
Rot. Bonds4

About 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate

2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 3017452) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID3017452
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C12H15NO4/c1-7(2)12(16)17-6-5-13-10(14)8(3)9(4)11(13)15/h1,5-6H2,2-4H3
InChIKeyMTFZCGPANOZASK-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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3-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)propyl 2-methylprop-2-enoate
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2-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate (CID 3017452) is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is MTFZCGPANOZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7(2)12(16)17-6-5-13-10(14)8(3)9(4)11(13)15/h1,5-6H2,2-4H3.
What are the key properties of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate?
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 237.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 3017452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).