2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone

C13H19NO2 — CID 116570610

IUPAC2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccco2)CCNC1
InChIInChI=1S/C13H19NO2/c1-2-5-13(6-7-14-10-13)12(15)9-11-4-3-8-16-11/h3-4,8,14H,2,5-7,9-10H2,1H3
InChIKeyRSDGJMYTCAHUHO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds5

About 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone

2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 116570610) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID116570610
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccco2)CCNC1
InChIInChI=1S/C13H19NO2/c1-2-5-13(6-7-14-10-13)12(15)9-11-4-3-8-16-11/h3-4,8,14H,2,5-7,9-10H2,1H3
InChIKeyRSDGJMYTCAHUHO-UHFFFAOYSA-N
XLogP2.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 55165654
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570636
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142896
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone (CID 116570610) is 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone is CCCC1(C(=O)Cc2ccco2)CCNC1.
What is the InChIKey of 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is RSDGJMYTCAHUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-5-13(6-7-14-10-13)12(15)9-11-4-3-8-16-11/h3-4,8,14H,2,5-7,9-10H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).