1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione

C10H13NO3 — CID 18324120

IUPAC1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione
SMILESC=C(C)COC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-7(2)6-14-8(3)11-9(12)4-5-10(11)13/h4-5,8H,1,6H2,2-3H3
InChIKeyKWFHODFMKFLLKY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.85
Rot. Bonds4

About 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione

1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione (PubChem CID 18324120) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione
PubChem CID18324120
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione
SMILESC=C(C)COC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-7(2)6-14-8(3)11-9(12)4-5-10(11)13/h4-5,8H,1,6H2,2-3H3
InChIKeyKWFHODFMKFLLKY-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione (CID 18324120) is 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione is C=C(C)COC(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is KWFHODFMKFLLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)6-14-8(3)11-9(12)4-5-10(11)13/h4-5,8H,1,6H2,2-3H3.
What are the key properties of 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione?
1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 18324120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).