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

C17H28N2O3 — CID 97366482

IUPAC[(2R,3aS,7aS)-6-(oxan-4-yl)-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(C3CCOCC3)C[C@H]2O1)N1CCCC1
InChIInChI=1S/C17H28N2O3/c20-17(18-6-1-2-7-18)15-11-13-3-8-19(12-16(13)22-15)14-4-9-21-10-5-14/h13-16H,1-12H2/t13-,15+,16+/m0/s1
InChIKeyWASVOHZWFRSDOT-NUEKZKHPSA-N
MW308.42 g/mol
LogP1.27
Rot. Bonds2

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

[(2R,3aS,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97366482) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [(2R,3aS,7aS)-6-(oxan-4-yl)-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-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97366482
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[(2R,3aS,7aS)-6-(oxan-4-yl)-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(C3CCOCC3)C[C@H]2O1)N1CCCC1
InChIInChI=1S/C17H28N2O3/c20-17(18-6-1-2-7-18)15-11-13-3-8-19(12-16(13)22-15)14-4-9-21-10-5-14/h13-16H,1-12H2/t13-,15+,16+/m0/s1
InChIKeyWASVOHZWFRSDOT-NUEKZKHPSA-N
XLogP1.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-6-(oxan-4-yl)-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-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 97366482) is [(2R,3aS,7aS)-6-(oxan-4-yl)-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-(oxan-4-yl)-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-(oxan-4-yl)-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(C3CCOCC3)C[C@H]2O1)N1CCCC1.
What is the InChIKey of [(2R,3aS,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WASVOHZWFRSDOT-NUEKZKHPSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-17(18-6-1-2-7-18)15-11-13-3-8-19(12-16(13)22-15)14-4-9-21-10-5-14/h13-16H,1-12H2/t13-,15+,16+/m0/s1.
What are the key properties of [(2R,3aS,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R,3aS,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.42 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97366482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).