2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one

C11H24N2O7 — CID 66730630

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.OCCON(OCCO)OCCO
InChIInChI=1S/C6H15NO6.C5H9NO/c8-1-4-11-7(12-5-2-9)13-6-3-10;1-6-4-2-3-5(6)7/h8-10H,1-6H2;2-4H2,1H3
InChIKeyLAYWHOJIQPKHNH-UHFFFAOYSA-N
MW296.32 g/mol
LogP-1.70
Rot. Bonds9

About 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one

2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one (PubChem CID 66730630) has the molecular formula C11H24N2O7 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one
PubChem CID66730630
Molecular FormulaC11H24N2O7
Molecular Weight296.32 g/mol
Exact Mass296.16
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.OCCON(OCCO)OCCO
InChIInChI=1S/C6H15NO6.C5H9NO/c8-1-4-11-7(12-5-2-9)13-6-3-10;1-6-4-2-3-5(6)7/h8-10H,1-6H2;2-4H2,1H3
InChIKeyLAYWHOJIQPKHNH-UHFFFAOYSA-N
XLogP-1.70
TPSA111.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one (CID 66730630) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one is CN1CCCC1=O.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one?
The InChIKey is LAYWHOJIQPKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6.C5H9NO/c8-1-4-11-7(12-5-2-9)13-6-3-10;1-6-4-2-3-5(6)7/h8-10H,1-6H2;2-4H2,1H3.
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one has a molecular weight of 296.32 g/mol, XLogP of -1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one is sourced from PubChem (CID 66730630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).