2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one

C8H17NO4 — CID 22610613

IUPAC2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCCOCCO
InChIInChI=1S/C4H7NO.C4H10O3/c6-4-2-1-3-5-4;5-1-3-7-4-2-6/h1-3H2,(H,5,6);5-6H,1-4H2
InChIKeyURFSBYDXNDUGHC-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.12
Rot. Bonds4

About 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one

2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one (PubChem CID 22610613) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one
PubChem CID22610613
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCCOCCO
InChIInChI=1S/C4H7NO.C4H10O3/c6-4-2-1-3-5-4;5-1-3-7-4-2-6/h1-3H2,(H,5,6);5-6H,1-4H2
InChIKeyURFSBYDXNDUGHC-UHFFFAOYSA-N
XLogP-1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
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-hydroxyethoxy)ethanol;pyrrolidin-2-one?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one (CID 22610613) is 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one is O=C1CCCN1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one?
The InChIKey is URFSBYDXNDUGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H10O3/c6-4-2-1-3-5-4;5-1-3-7-4-2-6/h1-3H2,(H,5,6);5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one?
2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;pyrrolidin-2-one is sourced from PubChem (CID 22610613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).