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

C10H11NO4 — CID 141226433

IUPAC2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1=CC(=O)N(C)C1=O
InChIInChI=1S/C10H11NO4/c1-3-9(13)15-5-4-7-6-8(12)11(2)10(7)14/h3,6H,1,4-5H2,2H3
InChIKeyHVKTVETUVDEPGW-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.03
Rot. Bonds4

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

2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate (PubChem CID 141226433) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate
PubChem CID141226433
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1=CC(=O)N(C)C1=O
InChIInChI=1S/C10H11NO4/c1-3-9(13)15-5-4-7-6-8(12)11(2)10(7)14/h3,6H,1,4-5H2,2H3
InChIKeyHVKTVETUVDEPGW-UHFFFAOYSA-N
XLogP0.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.03
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-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate (CID 141226433) is 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1=CC(=O)N(C)C1=O.
What is the InChIKey of 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate?
The InChIKey is HVKTVETUVDEPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-3-9(13)15-5-4-7-6-8(12)11(2)10(7)14/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate?
2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate has a molecular weight of 209.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,5-dioxopyrrol-3-yl)ethyl prop-2-enoate is sourced from PubChem (CID 141226433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).