1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione

C15H15NO4 — CID 59193557

IUPAC1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
SMILESC=COCCOc1cccc(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C15H15NO4/c1-3-19-7-8-20-13-6-4-5-12(10-13)16-14(17)9-11(2)15(16)18/h3-6,9-10H,1,7-8H2,2H3
InChIKeyKRWAKJIIMLPHCU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.05
Rot. Bonds6

About 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione

1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione (PubChem CID 59193557) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
PubChem CID59193557
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
SMILESC=COCCOc1cccc(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C15H15NO4/c1-3-19-7-8-20-13-6-4-5-12(10-13)16-14(17)9-11(2)15(16)18/h3-6,9-10H,1,7-8H2,2H3
InChIKeyKRWAKJIIMLPHCU-UHFFFAOYSA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione (CID 59193557) is 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione is C=COCCOc1cccc(N2C(=O)C=C(C)C2=O)c1.
What is the InChIKey of 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is KRWAKJIIMLPHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-19-7-8-20-13-6-4-5-12(10-13)16-14(17)9-11(2)15(16)18/h3-6,9-10H,1,7-8H2,2H3.
What are the key properties of 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione?
1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 273.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 59193557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).