3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one

C17H19NO2 — CID 22587446

IUPAC3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCCC1
InChIInChI=1S/C17H19NO2/c19-17(18-12-4-5-13-18)11-9-15-8-10-16(20-15)14-6-2-1-3-7-14/h1-3,6-8,10H,4-5,9,11-13H2
InChIKeyQEPVEKKTYUNYMG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.50
Rot. Bonds4

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

3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 22587446) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID22587446
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCCC1
InChIInChI=1S/C17H19NO2/c19-17(18-12-4-5-13-18)11-9-15-8-10-16(20-15)14-6-2-1-3-7-14/h1-3,6-8,10H,4-5,9,11-13H2
InChIKeyQEPVEKKTYUNYMG-UHFFFAOYSA-N
XLogP3.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9114353
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 9108423
3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 9111348
N-phenyl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 34435663
(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 27041646
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 120809401
N-butan-2-yl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 134043788
5-methyl-5-[1-[3-(5-phenylfuran-2-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 91643956
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 18229092
3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41103665
1-[1-[3-(5-phenylfuran-2-yl)propanoyl]pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 167745631

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 22587446) is 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccc(-c2ccccc2)o1)N1CCCC1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QEPVEKKTYUNYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(18-12-4-5-13-18)11-9-15-8-10-16(20-15)14-6-2-1-3-7-14/h1-3,6-8,10H,4-5,9,11-13H2.
What are the key properties of 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 22587446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).