[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C18H23FN2O2 — CID 97388463

IUPAC[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1)N1CCCC1
InChIInChI=1S/C18H23FN2O2/c19-14-4-3-5-15(11-14)21-9-6-13-10-16(23-17(13)12-21)18(22)20-7-1-2-8-20/h3-5,11,13,16-17H,1-2,6-10,12H2/t13-,16+,17+/m0/s1
InChIKeyUTNGMKBUAMSRJE-IAOVAPTHSA-N
MW318.39 g/mol
LogP2.43
Rot. Bonds2

About [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97388463) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97388463
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1)N1CCCC1
InChIInChI=1S/C18H23FN2O2/c19-14-4-3-5-15(11-14)21-9-6-13-10-16(23-17(13)12-21)18(22)20-7-1-2-8-20/h3-5,11,13,16-17H,1-2,6-10,12H2/t13-,16+,17+/m0/s1
InChIKeyUTNGMKBUAMSRJE-IAOVAPTHSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(2,3-Dihydro-indol-1-yl)-(tetrahydro-furan-2-yl)-methanone
CID 651377
4-(4-Fluorophenyl)piperazinyl oxolan-2-yl ketone
CID 3513759
1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
CID 97386074
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388457
[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388536
[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97388564
[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97408262
(2-methyl-2,3-dihydro-1H-indol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 2970724
4-(2-Fluorophenyl)piperazinyl oxolan-2-yl ketone
CID 3579952
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-phenyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127021887
[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023098
[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 127023099

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 97388463) is [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1)N1CCCC1.
What is the InChIKey of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UTNGMKBUAMSRJE-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-14-4-3-5-15(11-14)21-9-6-13-10-16(23-17(13)12-21)18(22)20-7-1-2-8-20/h3-5,11,13,16-17H,1-2,6-10,12H2/t13-,16+,17+/m0/s1.
What are the key properties of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 318.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97388463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).