1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione

C16H19NO5 — CID 134872359

IUPAC1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione
SMILESC=Cc1c(OC)c(OC)c(C)c(OC)c1N1C(=O)CCC1=O
InChIInChI=1S/C16H19NO5/c1-6-10-13(17-11(18)7-8-12(17)19)14(20-3)9(2)15(21-4)16(10)22-5/h6H,1,7-8H2,2-5H3
InChIKeyLSJVJNLVQBPJIP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.32
Rot. Bonds5

About 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione

1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 134872359) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione
PubChem CID134872359
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione
SMILESC=Cc1c(OC)c(OC)c(C)c(OC)c1N1C(=O)CCC1=O
InChIInChI=1S/C16H19NO5/c1-6-10-13(17-11(18)7-8-12(17)19)14(20-3)9(2)15(21-4)16(10)22-5/h6H,1,7-8H2,2-5H3
InChIKeyLSJVJNLVQBPJIP-UHFFFAOYSA-N
XLogP2.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione (CID 134872359) is 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione is C=Cc1c(OC)c(OC)c(C)c(OC)c1N1C(=O)CCC1=O.
What is the InChIKey of 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is LSJVJNLVQBPJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-6-10-13(17-11(18)7-8-12(17)19)14(20-3)9(2)15(21-4)16(10)22-5/h6H,1,7-8H2,2-5H3.
What are the key properties of 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione?
1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 305.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-3,4,6-trimethoxy-5-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134872359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).