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

C12H20N2O2 — CID 129496385

IUPAC[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C12H20N2O2/c15-12(9-1-3-13-5-9)14-4-2-10-7-16-8-11(10)6-14/h9-11,13H,1-8H2/t9-,10+,11-/m1/s1
InChIKeyJLVZNPYBMVPQOS-OUAUKWLOSA-N
MW224.30 g/mol
LogP0.09
Rot. Bonds1

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

[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 129496385) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID129496385
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C12H20N2O2/c15-12(9-1-3-13-5-9)14-4-2-10-7-16-8-11(10)6-14/h9-11,13H,1-8H2/t9-,10+,11-/m1/s1
InChIKeyJLVZNPYBMVPQOS-OUAUKWLOSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
CID 121202092
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-2-yl)methanone
CID 121202091
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone (CID 129496385) is [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone is O=C([C@@H]1CCNC1)N1CC[C@H]2COC[C@H]2C1.
What is the InChIKey of [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is JLVZNPYBMVPQOS-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(9-1-3-13-5-9)14-4-2-10-7-16-8-11(10)6-14/h9-11,13H,1-8H2/t9-,10+,11-/m1/s1.
What are the key properties of [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 224.30 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129496385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).