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

C10H15NO6 — CID 118368636

IUPAC1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1[C@@H](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/t10-/m0/s1
InChIKeyWMARVQFRASXGJV-JTQLQIEISA-N
MW245.23 g/mol
LogP-1.74
Rot. Bonds8

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

1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 118368636) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID118368636
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1[C@@H](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/t10-/m0/s1
InChIKeyWMARVQFRASXGJV-JTQLQIEISA-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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Related Compounds

1-[(1R)-2-[2-[(2S)-2-(2,5-dioxopyrrol-1-yl)-2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
CID 98008493
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
CID 59992624
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 138557066
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione
CID 58241538

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione (CID 118368636) is 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1[C@@H](O)COCCOCCO.
What is the InChIKey of 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is WMARVQFRASXGJV-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
1-[(1S)-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-[(1S)-1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 118368636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).