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

C13H22N2O2 — CID 125226533

IUPAC[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H]1C[C@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1
InChIInChI=1S/C13H22N2O2/c1-10-8-11-4-7-15(9-12(11)17-10)13(16)14-5-2-3-6-14/h10-12H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyHRXSIKCIZULBLT-UTUOFQBUSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds

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

[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 125226533) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID125226533
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H]1C[C@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1
InChIInChI=1S/C13H22N2O2/c1-10-8-11-4-7-15(9-12(11)17-10)13(16)14-5-2-3-6-14/h10-12H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyHRXSIKCIZULBLT-UTUOFQBUSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 125225141
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
[(3aS,7aR)-2-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131683443
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3,4-difluorophenyl)methanone
CID 97369452
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone
CID 124830842
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(4-fluoro-2-methylphenyl)methanone
CID 124792215
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(6-ethyl-3-pyridinyl)methanone
CID 131683967
1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one
CID 131688542
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 125226533) is [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone is C[C@@H]1C[C@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1.
What is the InChIKey of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HRXSIKCIZULBLT-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-8-11-4-7-15(9-12(11)17-10)13(16)14-5-2-3-6-14/h10-12H,2-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 238.33 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 125226533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).