[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

C19H20FNO2 — CID 56820630

IUPAC[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c20-14-7-5-13(6-8-14)11-15-3-1-9-21(15)19(22)17-12-16(17)18-4-2-10-23-18/h2,4-8,10,15-17H,1,3,9,11-12H2
InChIKeyPTQDXIUOPPQAQY-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.76
Rot. Bonds4

About [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 56820630) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID56820630
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c20-14-7-5-13(6-8-14)11-15-3-1-9-21(15)19(22)17-12-16(17)18-4-2-10-23-18/h2,4-8,10,15-17H,1,3,9,11-12H2
InChIKeyPTQDXIUOPPQAQY-UHFFFAOYSA-N
XLogP3.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
CID 124859877
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 95588049
[2-(furan-2-yl)cyclopropyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 56820515
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (CID 56820630) is [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is O=C(C1CC1c1ccco1)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is PTQDXIUOPPQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-14-7-5-13(6-8-14)11-15-3-1-9-21(15)19(22)17-12-16(17)18-4-2-10-23-18/h2,4-8,10,15-17H,1,3,9,11-12H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 313.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 56820630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).