2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one

C11H23NO4 — CID 160610756

IUPAC2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one
SMILESCCOCCOCCO.CN1CCCC1=O
InChIInChI=1S/C6H14O3.C5H9NO/c1-2-8-5-6-9-4-3-7;1-6-4-2-3-5(6)7/h7H,2-6H2,1H3;2-4H2,1H3
InChIKeyRFMDXNXCFACZAP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.27
Rot. Bonds6

About 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one

2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one (PubChem CID 160610756) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one
PubChem CID160610756
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one
SMILESCCOCCOCCO.CN1CCCC1=O
InChIInChI=1S/C6H14O3.C5H9NO/c1-2-8-5-6-9-4-3-7;1-6-4-2-3-5(6)7/h7H,2-6H2,1H3;2-4H2,1H3
InChIKeyRFMDXNXCFACZAP-UHFFFAOYSA-N
XLogP0.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one?
The IUPAC name of 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one (CID 160610756) is 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one?
The canonical SMILES for 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one is CCOCCOCCO.CN1CCCC1=O.
What is the InChIKey of 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one?
The InChIKey is RFMDXNXCFACZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C5H9NO/c1-2-8-5-6-9-4-3-7;1-6-4-2-3-5(6)7/h7H,2-6H2,1H3;2-4H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one?
2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethanol;1-methylpyrrolidin-2-one is sourced from PubChem (CID 160610756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).