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

C14H19NO5 — CID 3020716

IUPAC2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3
InChIKeyBBCPYOJPFVNCMM-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.83
Rot. Bonds7

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

2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 3020716) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID3020716
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3
InChIKeyBBCPYOJPFVNCMM-UHFFFAOYSA-N
XLogP0.83
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate (CID 3020716) is 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is BBCPYOJPFVNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3.
What are the key properties of 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 281.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 3020716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).