1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione

C19H18N2O4 — CID 68742064

IUPAC1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
SMILESCCc1cc(N2C(=O)C=C(C)C2=O)c(C)c(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-5-13-8-14(20-16(22)6-10(2)18(20)24)12(4)15(9-13)21-17(23)7-11(3)19(21)25/h6-9H,5H2,1-4H3
InChIKeyVIILUGBPJLWPBC-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.20
Rot. Bonds3

About 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione

1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione (PubChem CID 68742064) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
PubChem CID68742064
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
SMILESCCc1cc(N2C(=O)C=C(C)C2=O)c(C)c(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-5-13-8-14(20-16(22)6-10(2)18(20)24)12(4)15(9-13)21-17(23)7-11(3)19(21)25/h6-9H,5H2,1-4H3
InChIKeyVIILUGBPJLWPBC-UHFFFAOYSA-N
XLogP2.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione (CID 68742064) is 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione is CCc1cc(N2C(=O)C=C(C)C2=O)c(C)c(N2C(=O)C=C(C)C2=O)c1.
What is the InChIKey of 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is VIILUGBPJLWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-5-13-8-14(20-16(22)6-10(2)18(20)24)12(4)15(9-13)21-17(23)7-11(3)19(21)25/h6-9H,5H2,1-4H3.
What are the key properties of 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione?
1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 338.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 68742064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).