1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione

C12H13NO3 — CID 162411013

IUPAC1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione
SMILESCc1ccc(CON2C(=O)CCC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-9-2-4-10(5-3-9)8-16-13-11(14)6-7-12(13)15/h2-5H,6-8H2,1H3
InChIKeyPUUINXPUFFYYLP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.58
Rot. Bonds3

About 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione

1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione (PubChem CID 162411013) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione
PubChem CID162411013
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione
SMILESCc1ccc(CON2C(=O)CCC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-9-2-4-10(5-3-9)8-16-13-11(14)6-7-12(13)15/h2-5H,6-8H2,1H3
InChIKeyPUUINXPUFFYYLP-UHFFFAOYSA-N
XLogP1.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzyl succinimido carbonate
CID 83172
1-[(4-Fluorobenzyl)oxy]pyrrolidine-2,5-dione
CID 2990101
N-(benzyloxy)-2-azaspiro(4.4)nonane-1,3-dione
CID 86394
N-(4'(trifluoromethyl)-bezyloxy)-2-azaspiro[4.4]nonane-1,3-dione
CID 15657791
2-[(2-Fluorophenyl)methoxy]-2-azaspiro[4.4]nonane-1,3-dione
CID 15657803
4-(((2,5-Dioxopyrrolidin-1-yl)oxy)carbonyl)benzaldehyde
CID 4126130
N-acetyl-N-(benzyloxy)acetamide
CID 12390734
2,5-Pyrrolidinedione, 1-[(4-methylbenzoyl)oxy]-
CID 6422404
2,5-Dioxopyrrolidin-1-yl 3-(benzyloxy)propanoate
CID 118999798
1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione
CID 154709010
1-[2-(4-Fluorophenyl)-2-iodoethoxy]pyrrolidine-2,5-dione
CID 178341039
4-[(2,5-Dioxopyrrolidin-1-yl)oxymethyl]benzonitrile
CID 2437669

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione (CID 162411013) is 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione is Cc1ccc(CON2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione?
The InChIKey is PUUINXPUFFYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-9-2-4-10(5-3-9)8-16-13-11(14)6-7-12(13)15/h2-5H,6-8H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione?
1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 162411013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).