1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one

C13H24N2O2 — CID 22595138

IUPAC1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one
SMILESCCCN1CCCC1=O.CCN1CCCC1=O
InChIInChI=1S/C7H13NO.C6H11NO/c1-2-5-8-6-3-4-7(8)9;1-2-7-5-3-4-6(7)8/h2-6H2,1H3;2-5H2,1H3
InChIKeySSPSDHPOYVVQNH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.65
Rot. Bonds3

About 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one

1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one (PubChem CID 22595138) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one
PubChem CID22595138
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one
SMILESCCCN1CCCC1=O.CCN1CCCC1=O
InChIInChI=1S/C7H13NO.C6H11NO/c1-2-5-8-6-3-4-7(8)9;1-2-7-5-3-4-6(7)8/h2-6H2,1H3;2-5H2,1H3
InChIKeySSPSDHPOYVVQNH-UHFFFAOYSA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
The IUPAC name of 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one (CID 22595138) is 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one.
What is the SMILES notation for 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
The canonical SMILES for 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one is CCCN1CCCC1=O.CCN1CCCC1=O.
What is the InChIKey of 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
The InChIKey is SSPSDHPOYVVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H11NO/c1-2-5-8-6-3-4-7(8)9;1-2-7-5-3-4-6(7)8/h2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one is sourced from PubChem (CID 22595138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).