ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one

C11H23NO4 — CID 88599816

IUPACethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one
SMILESCCOCC.O=C1CCCN1.OCC1CO1
InChIInChI=1S/C4H7NO.C4H10O.C3H6O2/c6-4-2-1-3-5-4;1-3-5-4-2;4-1-3-2-5-3/h1-3H2,(H,5,6);3-4H2,1-2H3;3-4H,1-2H2
InChIKeyMTESONQHBLKUNR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.32
Rot. Bonds3

About ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one

ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one (PubChem CID 88599816) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one.

Molecular Properties

Compound Nameethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one
PubChem CID88599816
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one
SMILESCCOCC.O=C1CCCN1.OCC1CO1
InChIInChI=1S/C4H7NO.C4H10O.C3H6O2/c6-4-2-1-3-5-4;1-3-5-4-2;4-1-3-2-5-3/h1-3H2,(H,5,6);3-4H2,1-2H3;3-4H,1-2H2
InChIKeyMTESONQHBLKUNR-UHFFFAOYSA-N
XLogP0.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one?
The IUPAC name of ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one (CID 88599816) is ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one.
What is the SMILES notation for ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one?
The canonical SMILES for ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one is CCOCC.O=C1CCCN1.OCC1CO1.
What is the InChIKey of ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one?
The InChIKey is MTESONQHBLKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H10O.C3H6O2/c6-4-2-1-3-5-4;1-3-5-4-2;4-1-3-2-5-3/h1-3H2,(H,5,6);3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one?
ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;oxiran-2-ylmethanol;pyrrolidin-2-one is sourced from PubChem (CID 88599816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).