1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione

C16H20N2O4 — CID 66611335

IUPAC1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCCCC(N1C(=O)C(C)=C(C)C1=O)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C16H20N2O4/c1-6-7-12(17-13(19)8(2)9(3)14(17)20)18-15(21)10(4)11(5)16(18)22/h12H,6-7H2,1-5H3
InChIKeyKFWPXWUEBFTHGT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.52
Rot. Bonds4

About 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione

1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 66611335) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID66611335
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCCCC(N1C(=O)C(C)=C(C)C1=O)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C16H20N2O4/c1-6-7-12(17-13(19)8(2)9(3)14(17)20)18-15(21)10(4)11(5)16(18)22/h12H,6-7H2,1-5H3
InChIKeyKFWPXWUEBFTHGT-UHFFFAOYSA-N
XLogP1.52
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.52
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-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione (CID 66611335) is 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione is CCCC(N1C(=O)C(C)=C(C)C1=O)N1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is KFWPXWUEBFTHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-6-7-12(17-13(19)8(2)9(3)14(17)20)18-15(21)10(4)11(5)16(18)22/h12H,6-7H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione?
1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 66611335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).