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

C11H13NO4 — CID 18620376

IUPAC2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H13NO4/c1-4-9(13)16-6-5-12-10(14)7(2)8(3)11(12)15/h4H,1,5-6H2,2-3H3
InChIKeyHRYRWZZMOGBIJI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.42
Rot. Bonds4

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

2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate (PubChem CID 18620376) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate
PubChem CID18620376
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H13NO4/c1-4-9(13)16-6-5-12-10(14)7(2)8(3)11(12)15/h4H,1,5-6H2,2-3H3
InChIKeyHRYRWZZMOGBIJI-UHFFFAOYSA-N
XLogP0.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate (CID 18620376) is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate?
The InChIKey is HRYRWZZMOGBIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-4-9(13)16-6-5-12-10(14)7(2)8(3)11(12)15/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate?
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl prop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of 0.42, 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 prop-2-enoate is sourced from PubChem (CID 18620376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).