1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione

C17H14N2O4 — CID 67326354

IUPAC1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cc(N3C(=O)C=CC3=O)c(C)cc2C)C1=O
InChIInChI=1S/C17H14N2O4/c1-9-6-10(2)13(19-16(22)7-11(3)17(19)23)8-12(9)18-14(20)4-5-15(18)21/h4-8H,1-3H3
InChIKeyOYEDFNLDFULLKX-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.55
Rot. Bonds2

About 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione

1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione (PubChem CID 67326354) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione
PubChem CID67326354
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cc(N3C(=O)C=CC3=O)c(C)cc2C)C1=O
InChIInChI=1S/C17H14N2O4/c1-9-6-10(2)13(19-16(22)7-11(3)17(19)23)8-12(9)18-14(20)4-5-15(18)21/h4-8H,1-3H3
InChIKeyOYEDFNLDFULLKX-UHFFFAOYSA-N
XLogP1.55
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione (CID 67326354) is 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2cc(N3C(=O)C=CC3=O)c(C)cc2C)C1=O.
What is the InChIKey of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is OYEDFNLDFULLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-6-10(2)13(19-16(22)7-11(3)17(19)23)8-12(9)18-14(20)4-5-15(18)21/h4-8H,1-3H3.
What are the key properties of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione?
1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 310.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 67326354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).