4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile

C17H15FN2O3 — CID 128964177

IUPAC4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
SMILESCc1oc(C#N)cc1C(=O)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C17H15FN2O3/c1-10-15(7-14(8-19)23-10)17(22)20-9-13(21)6-16(20)11-3-2-4-12(18)5-11/h2-5,7,13,16,21H,6,9H2,1H3
InChIKeyZTPKKXNAWHZWQN-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.55
Rot. Bonds2

About 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile

4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile (PubChem CID 128964177) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
PubChem CID128964177
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
SMILESCc1oc(C#N)cc1C(=O)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C17H15FN2O3/c1-10-15(7-14(8-19)23-10)17(22)20-9-13(21)6-16(20)11-3-2-4-12(18)5-11/h2-5,7,13,16,21H,6,9H2,1H3
InChIKeyZTPKKXNAWHZWQN-UHFFFAOYSA-N
XLogP2.55
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 129480325
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129481566
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129481779
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
CID 129484960
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methyl-1-propan-2-ylpyrazol-4-yl)methanone
CID 129346282
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481641
(1,3-dimethylpyrrol-2-yl)-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990038
(2,6-dimethylpyrimidin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100719228
(3-chloro-4-pyridinyl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481674
4-[2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481433
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129482041

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
The IUPAC name of 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile (CID 128964177) is 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
The canonical SMILES for 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile is Cc1oc(C#N)cc1C(=O)N1CC(O)CC1c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
The InChIKey is ZTPKKXNAWHZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-10-15(7-14(8-19)23-10)17(22)20-9-13(21)6-16(20)11-3-2-4-12(18)5-11/h2-5,7,13,16,21H,6,9H2,1H3.
What are the key properties of 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile?
4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile has a molecular weight of 314.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile is sourced from PubChem (CID 128964177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).