1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate

C13H21NO4 — CID 19861411

IUPAC1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate
SMILESCCC(=O)OC(CC)C1CCC(=O)N1C(=O)CC
InChIInChI=1S/C13H21NO4/c1-4-10(18-13(17)6-3)9-7-8-12(16)14(9)11(15)5-2/h9-10H,4-8H2,1-3H3
InChIKeyYSFWLPXYWZZYPO-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.65
Rot. Bonds5

About 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate

1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate (PubChem CID 19861411) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate.

Molecular Properties

Compound Name1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate
PubChem CID19861411
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate
SMILESCCC(=O)OC(CC)C1CCC(=O)N1C(=O)CC
InChIInChI=1S/C13H21NO4/c1-4-10(18-13(17)6-3)9-7-8-12(16)14(9)11(15)5-2/h9-10H,4-8H2,1-3H3
InChIKeyYSFWLPXYWZZYPO-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate?
The IUPAC name of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate (CID 19861411) is 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate.
What is the SMILES notation for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate?
The canonical SMILES for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate is CCC(=O)OC(CC)C1CCC(=O)N1C(=O)CC.
What is the InChIKey of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate?
The InChIKey is YSFWLPXYWZZYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-4-10(18-13(17)6-3)9-7-8-12(16)14(9)11(15)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate?
1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate has a molecular weight of 255.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)propyl propanoate is sourced from PubChem (CID 19861411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).