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

C17H25FN2O3 — CID 131684954

IUPAC[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21)N1CCCC1
InChIInChI=1S/C17H25FN2O3/c18-17(5-3-6-17)16(22)20-10-13(12-4-9-23-14(12)11-20)15(21)19-7-1-2-8-19/h12-14H,1-11H2/t12-,13+,14+/m0/s1
InChIKeyHSHZSHPSWGOEAG-BFHYXJOUSA-N
MW324.40 g/mol
LogP1.36
Rot. Bonds2

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

[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131684954) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID131684954
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21)N1CCCC1
InChIInChI=1S/C17H25FN2O3/c18-17(5-3-6-17)16(22)20-10-13(12-4-9-23-14(12)11-20)15(21)19-7-1-2-8-19/h12-14H,1-11H2/t12-,13+,14+/m0/s1
InChIKeyHSHZSHPSWGOEAG-BFHYXJOUSA-N
XLogP1.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(3aS,4S,7aS)-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
CID 131684769
(3aS,4S,7aS)-N-cyclopentyl-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 131684699
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
CID 131684765
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131684563
(1-fluorocyclobutyl)-piperidin-1-ylmethanone
CID 126992878
[(3aS,4S,7aS)-6-benzyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842247
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131686731
[(3aS,4R,7aS)-6-[(5-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365003
[(3aR,4S,7aR)-6-[(4-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 124796612
[(4aS,8aS)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131686881
2-[(3R,3aS,6aS)-5-(1-fluorocyclobutanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 131683370
(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 115885938

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone (CID 131684954) is [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CN(C(=O)C2(F)CCC2)C[C@H]2OCC[C@H]21)N1CCCC1.
What is the InChIKey of [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HSHZSHPSWGOEAG-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H25FN2O3/c18-17(5-3-6-17)16(22)20-10-13(12-4-9-23-14(12)11-20)15(21)19-7-1-2-8-19/h12-14H,1-11H2/t12-,13+,14+/m0/s1.
What are the key properties of [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
[(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,7aS)-6-(1-fluorocyclobutanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131684954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).