2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate

C15H23NO4 — CID 76727238

IUPAC2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate
SMILESO=CC1CCC(=O)N1CCOC(=O)CCC1CCCC1
InChIInChI=1S/C15H23NO4/c17-11-13-6-7-14(18)16(13)9-10-20-15(19)8-5-12-3-1-2-4-12/h11-13H,1-10H2
InChIKeyBZUBBODAWINDRE-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.69
Rot. Bonds7

About 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate

2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate (PubChem CID 76727238) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate
PubChem CID76727238
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate
SMILESO=CC1CCC(=O)N1CCOC(=O)CCC1CCCC1
InChIInChI=1S/C15H23NO4/c17-11-13-6-7-14(18)16(13)9-10-20-15(19)8-5-12-3-1-2-4-12/h11-13H,1-10H2
InChIKeyBZUBBODAWINDRE-UHFFFAOYSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate?
The IUPAC name of 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate (CID 76727238) is 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate.
What is the SMILES notation for 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate?
The canonical SMILES for 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate is O=CC1CCC(=O)N1CCOC(=O)CCC1CCCC1.
What is the InChIKey of 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate?
The InChIKey is BZUBBODAWINDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-11-13-6-7-14(18)16(13)9-10-20-15(19)8-5-12-3-1-2-4-12/h11-13H,1-10H2.
What are the key properties of 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate?
2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate has a molecular weight of 281.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-oxopyrrolidin-1-yl)ethyl 3-cyclopentylpropanoate is sourced from PubChem (CID 76727238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).