3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione

C17H18N2O6 — CID 58898523

IUPAC3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(=O)CCCC(=O)CN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C17H18N2O6/c1-10-6-14(22)18(16(10)24)8-12(20)4-3-5-13(21)9-19-15(23)7-11(2)17(19)25/h6-7H,3-5,8-9H2,1-2H3
InChIKeyWZOIFPOUMBREBN-UHFFFAOYSA-N
MW346.34 g/mol
LogP-0.07
Rot. Bonds8

About 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione

3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione (PubChem CID 58898523) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione
PubChem CID58898523
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(=O)CCCC(=O)CN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C17H18N2O6/c1-10-6-14(22)18(16(10)24)8-12(20)4-3-5-13(21)9-19-15(23)7-11(2)17(19)25/h6-7H,3-5,8-9H2,1-2H3
InChIKeyWZOIFPOUMBREBN-UHFFFAOYSA-N
XLogP-0.07
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione (CID 58898523) is 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione is CC1=CC(=O)N(CC(=O)CCCC(=O)CN2C(=O)C=C(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione?
The InChIKey is WZOIFPOUMBREBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-10-6-14(22)18(16(10)24)8-12(20)4-3-5-13(21)9-19-15(23)7-11(2)17(19)25/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione?
3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione has a molecular weight of 346.34 g/mol, XLogP of -0.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione is sourced from PubChem (CID 58898523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).