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

C14H13NO3 — CID 14204227

IUPAC1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione
SMILESC=C(C)COc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C14H13NO3/c1-10(2)9-18-12-6-4-3-5-11(12)15-13(16)7-8-14(15)17/h3-8H,1,9H2,2H3
InChIKeyBHEVNHZTQUIOSN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.07
Rot. Bonds4

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

1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione (PubChem CID 14204227) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione
PubChem CID14204227
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione
SMILESC=C(C)COc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C14H13NO3/c1-10(2)9-18-12-6-4-3-5-11(12)15-13(16)7-8-14(15)17/h3-8H,1,9H2,2H3
InChIKeyBHEVNHZTQUIOSN-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.07
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-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione (CID 14204227) is 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione is C=C(C)COc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is BHEVNHZTQUIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(2)9-18-12-6-4-3-5-11(12)15-13(16)7-8-14(15)17/h3-8H,1,9H2,2H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione?
1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 243.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 14204227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).