1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one

C11H17NO2 — CID 102652602

IUPAC1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESO=C(CCC1CCNC1)C1=CCCO1
InChIInChI=1S/C11H17NO2/c13-10(11-2-1-7-14-11)4-3-9-5-6-12-8-9/h2,9,12H,1,3-8H2
InChIKeyHVXXJSOHIMSPGV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.25
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 102652602) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID102652602
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESO=C(CCC1CCNC1)C1=CCCO1
InChIInChI=1S/C11H17NO2/c13-10(11-2-1-7-14-11)4-3-9-5-6-12-8-9/h2,9,12H,1,3-8H2
InChIKeyHVXXJSOHIMSPGV-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12825648
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3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606145
1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
CID 106655243
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605952
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606120
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 102652602) is 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one is O=C(CCC1CCNC1)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is HVXXJSOHIMSPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(11-2-1-7-14-11)4-3-9-5-6-12-8-9/h2,9,12H,1,3-8H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 102652602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).