1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one

C15H28N2O4S — CID 87856879

IUPAC1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one
SMILESCCOCCN1CCCC1=O.COCCN1CCC(S)C1=O
InChIInChI=1S/C8H15NO2.C7H13NO2S/c1-2-11-7-6-9-5-3-4-8(9)10;1-10-5-4-8-3-2-6(11)7(8)9/h2-7H2,1H3;6,11H,2-5H2,1H3
InChIKeyMZAPBDHSKQUHGZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP0.81
Rot. Bonds7

About 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one

1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one (PubChem CID 87856879) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one
PubChem CID87856879
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one
SMILESCCOCCN1CCCC1=O.COCCN1CCC(S)C1=O
InChIInChI=1S/C8H15NO2.C7H13NO2S/c1-2-11-7-6-9-5-3-4-8(9)10;1-10-5-4-8-3-2-6(11)7(8)9/h2-7H2,1H3;6,11H,2-5H2,1H3
InChIKeyMZAPBDHSKQUHGZ-UHFFFAOYSA-N
XLogP0.81
TPSA59.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one (CID 87856879) is 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one is CCOCCN1CCCC1=O.COCCN1CCC(S)C1=O.
What is the InChIKey of 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one?
The InChIKey is MZAPBDHSKQUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H13NO2S/c1-2-11-7-6-9-5-3-4-8(9)10;1-10-5-4-8-3-2-6(11)7(8)9/h2-7H2,1H3;6,11H,2-5H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one?
1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one has a molecular weight of 332.47 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)pyrrolidin-2-one;1-(2-methoxyethyl)-3-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 87856879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).