2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone

C12H19NO2 — CID 106976678

IUPAC2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2=CCCO2)CCCN1
InChIInChI=1S/C12H19NO2/c1-2-6-12(7-4-8-13-12)11(14)10-5-3-9-15-10/h5,13H,2-4,6-9H2,1H3
InChIKeyHOQPZVARLSVAQG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds4

About 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone

2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976678) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976678
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2=CCCO2)CCCN1
InChIInChI=1S/C12H19NO2/c1-2-6-12(7-4-8-13-12)11(14)10-5-3-9-15-10/h5,13H,2-4,6-9H2,1H3
InChIKeyHOQPZVARLSVAQG-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone (CID 106976678) is 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)C2=CCCO2)CCCN1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is HOQPZVARLSVAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-6-12(7-4-8-13-12)11(14)10-5-3-9-15-10/h5,13H,2-4,6-9H2,1H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone?
2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).