1-(2-ethoxyethyl)pyrrolidin-2-one

C8H15NO2 — CID 22012934

IUPAC1-(2-ethoxyethyl)pyrrolidin-2-one
SMILESCCOCCN1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-2-11-7-6-9-5-3-4-8(9)10/h2-7H2,1H3
InChIKeyHUZSCDCNYLZCQH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-ethoxyethyl)pyrrolidin-2-one

1-(2-ethoxyethyl)pyrrolidin-2-one (PubChem CID 22012934) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)pyrrolidin-2-one
PubChem CID22012934
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-ethoxyethyl)pyrrolidin-2-one
SMILESCCOCCN1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-2-11-7-6-9-5-3-4-8(9)10/h2-7H2,1H3
InChIKeyHUZSCDCNYLZCQH-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-ethoxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)pyrrolidin-2-one (CID 22012934) is 1-(2-ethoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)pyrrolidin-2-one is CCOCCN1CCCC1=O.
What is the InChIKey of 1-(2-ethoxyethyl)pyrrolidin-2-one?
The InChIKey is HUZSCDCNYLZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-7-6-9-5-3-4-8(9)10/h2-7H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)pyrrolidin-2-one?
1-(2-ethoxyethyl)pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 22012934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).