1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione

C14H15NO4 — CID 154707822

IUPAC1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C/CON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO4/c1-18-12-6-4-11(5-7-12)3-2-10-19-15-13(16)8-9-14(15)17/h2-7H,8-10H2,1H3/b3-2+
InChIKeyPIRKNZFMNPTTLI-NSCUHMNNSA-N
MW261.28 g/mol
LogP1.79
Rot. Bonds5

About 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione

1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione (PubChem CID 154707822) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
PubChem CID154707822
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C/CON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO4/c1-18-12-6-4-11(5-7-12)3-2-10-19-15-13(16)8-9-14(15)17/h2-7H,8-10H2,1H3/b3-2+
InChIKeyPIRKNZFMNPTTLI-NSCUHMNNSA-N
XLogP1.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 146567329
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
6-[2-(4-methoxyphenyl)ethenyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 1475382
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
CID 14919714
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
2-[3-(4-methoxyphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 57005653

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione (CID 154707822) is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione is COc1ccc(/C=C/CON2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
The InChIKey is PIRKNZFMNPTTLI-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-12-6-4-11(5-7-12)3-2-10-19-15-13(16)8-9-14(15)17/h2-7H,8-10H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione has a molecular weight of 261.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 154707822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).