[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone

C15H15FN2O2 — CID 119412672

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C15H15FN2O2/c16-11-3-1-10(2-4-11)13-5-6-14(20-13)15(19)18-8-7-12(17)9-18/h1-6,12H,7-9,17H2/t12-/m1/s1
InChIKeyBZHWDDGATFDVMC-GFCCVEGCSA-N
MW274.30 g/mol
LogP2.26
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone (PubChem CID 119412672) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
PubChem CID119412672
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C15H15FN2O2/c16-11-3-1-10(2-4-11)13-5-6-14(20-13)15(19)18-8-7-12(17)9-18/h1-6,12H,7-9,17H2/t12-/m1/s1
InChIKeyBZHWDDGATFDVMC-GFCCVEGCSA-N
XLogP2.26
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 120978179
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone (CID 119412672) is [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone is N[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone?
The InChIKey is BZHWDDGATFDVMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-3-1-10(2-4-11)13-5-6-14(20-13)15(19)18-8-7-12(17)9-18/h1-6,12H,7-9,17H2/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone has a molecular weight of 274.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone is sourced from PubChem (CID 119412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).