1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione

C15H18N2O6 — CID 3081158

IUPAC1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)(OCCN1C(=O)C=CC1=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O6/c1-15(2,22-9-7-16-11(18)3-4-12(16)19)23-10-8-17-13(20)5-6-14(17)21/h3-6H,7-10H2,1-2H3
InChIKeyMAWFYTWZTJWMFB-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.39
Rot. Bonds8

About 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione (PubChem CID 3081158) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione
PubChem CID3081158
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)(OCCN1C(=O)C=CC1=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O6/c1-15(2,22-9-7-16-11(18)3-4-12(16)19)23-10-8-17-13(20)5-6-14(17)21/h3-6H,7-10H2,1-2H3
InChIKeyMAWFYTWZTJWMFB-UHFFFAOYSA-N
XLogP-0.39
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione (CID 3081158) is 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione is CC(C)(OCCN1C(=O)C=CC1=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione?
The InChIKey is MAWFYTWZTJWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-15(2,22-9-7-16-11(18)3-4-12(16)19)23-10-8-17-13(20)5-6-14(17)21/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione has a molecular weight of 322.32 g/mol, XLogP of -0.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 3081158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).