1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione

C20H19NO4 — CID 135035927

IUPAC1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C(/CN2C(=O)CCC2=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO4/c1-24-16-9-7-15(8-10-16)13-18(25-17-5-3-2-4-6-17)14-21-19(22)11-12-20(21)23/h2-10,13H,11-12,14H2,1H3/b18-13-
InChIKeyHYYFPVVSYHNHAI-AQTBWJFISA-N
MW337.38 g/mol
LogP3.26
Rot. Bonds6

About 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione

1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione (PubChem CID 135035927) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione
PubChem CID135035927
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C(/CN2C(=O)CCC2=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO4/c1-24-16-9-7-15(8-10-16)13-18(25-17-5-3-2-4-6-17)14-21-19(22)11-12-20(21)23/h2-10,13H,11-12,14H2,1H3/b18-13-
InChIKeyHYYFPVVSYHNHAI-AQTBWJFISA-N
XLogP3.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione (CID 135035927) is 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione is COc1ccc(/C=C(/CN2C(=O)CCC2=O)Oc2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is HYYFPVVSYHNHAI-AQTBWJFISA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-16-9-7-15(8-10-16)13-18(25-17-5-3-2-4-6-17)14-21-19(22)11-12-20(21)23/h2-10,13H,11-12,14H2,1H3/b18-13-.
What are the key properties of 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione?
1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 337.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(4-methoxyphenyl)-2-phenoxyprop-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 135035927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).