(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C15H22N2O3 — CID 125187202

IUPAC(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOC[C@@]12COC[C@@H]1CN(Cc1cccnc1OC)C2
InChIInChI=1S/C15H22N2O3/c1-18-10-15-9-17(7-13(15)8-20-11-15)6-12-4-3-5-16-14(12)19-2/h3-5,13H,6-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyAOTLXCGOOWTMOP-ZFWWWQNUSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds5

About (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 125187202) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID125187202
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOC[C@@]12COC[C@@H]1CN(Cc1cccnc1OC)C2
InChIInChI=1S/C15H22N2O3/c1-18-10-15-9-17(7-13(15)8-20-11-15)6-12-4-3-5-16-14(12)19-2/h3-5,13H,6-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyAOTLXCGOOWTMOP-ZFWWWQNUSA-N
XLogP1.18
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,6aS)-3a-(methoxymethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 163314167
(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124789302
(3aR,6aR)-5-[(2-methoxyphenyl)methyl]-3a-(pyridin-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 127023216
(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909707
4-[[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 162630076
(3aS,6aR)-3a-(ethoxymethyl)-5-[(3-methoxyphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420896
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965
(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162637925
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 163312846
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
(3aR,6aR)-5-(furan-3-ylmethyl)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97476892

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 125187202) is (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is COC[C@@]12COC[C@@H]1CN(Cc1cccnc1OC)C2.
What is the InChIKey of (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is AOTLXCGOOWTMOP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-10-15-9-17(7-13(15)8-20-11-15)6-12-4-3-5-16-14(12)19-2/h3-5,13H,6-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 278.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 125187202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).