1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione

C12H17NO4 — CID 54425649

IUPAC1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
SMILESCC=CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO4/c1-2-3-7-16-9-10-17-8-6-13-11(14)4-5-12(13)15/h2-5H,6-10H2,1H3
InChIKeyWDWQHIQLCNHUJV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.52
Rot. Bonds8

About 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione

1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione (PubChem CID 54425649) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
PubChem CID54425649
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
SMILESCC=CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO4/c1-2-3-7-16-9-10-17-8-6-13-11(14)4-5-12(13)15/h2-5H,6-10H2,1H3
InChIKeyWDWQHIQLCNHUJV-UHFFFAOYSA-N
XLogP0.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione (CID 54425649) is 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione is CC=CCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is WDWQHIQLCNHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-3-7-16-9-10-17-8-6-13-11(14)4-5-12(13)15/h2-5H,6-10H2,1H3.
What are the key properties of 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione?
1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 239.27 g/mol, XLogP of 0.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 54425649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).