1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione

C10H15NO6 — CID 66608154

IUPAC1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)COCCOCCO
InChIInChI=1S/C10H15NO6/c12-3-4-16-5-6-17-7-10(15)11-8(13)1-2-9(11)14/h1-2,10,12,15H,3-7H2
InChIKeyWMARVQFRASXGJV-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.74
Rot. Bonds8

About 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione

1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 66608154) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID66608154
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)COCCOCCO
InChIInChI=1S/C10H15NO6/c12-3-4-16-5-6-17-7-10(15)11-8(13)1-2-9(11)14/h1-2,10,12,15H,3-7H2
InChIKeyWMARVQFRASXGJV-UHFFFAOYSA-N
XLogP-1.74
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione (CID 66608154) is 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(O)COCCOCCO.
What is the InChIKey of 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is WMARVQFRASXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c12-3-4-16-5-6-17-7-10(15)11-8(13)1-2-9(11)14/h1-2,10,12,15H,3-7H2.
What are the key properties of 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 245.23 g/mol, XLogP of -1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 66608154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).