(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole

C17H25NO4 — CID 125196271

IUPAC(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
SMILESc1coc(CN2C[C@H](OCC3CCOCC3)[C@@H]3COC[C@@H]32)c1
InChIInChI=1S/C17H25NO4/c1-2-14(21-5-1)8-18-9-17(15-11-20-12-16(15)18)22-10-13-3-6-19-7-4-13/h1-2,5,13,15-17H,3-4,6-12H2/t15-,16+,17+/m1/s1
InChIKeyKKKYAQOUIGPKRY-IKGGRYGDSA-N
MW307.39 g/mol
LogP1.92
Rot. Bonds5

About (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole

(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole (PubChem CID 125196271) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole.

Molecular Properties

Compound Name(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
PubChem CID125196271
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
SMILESc1coc(CN2C[C@H](OCC3CCOCC3)[C@@H]3COC[C@@H]32)c1
InChIInChI=1S/C17H25NO4/c1-2-14(21-5-1)8-18-9-17(15-11-20-12-16(15)18)22-10-13-3-6-19-7-4-13/h1-2,5,13,15-17H,3-4,6-12H2/t15-,16+,17+/m1/s1
InChIKeyKKKYAQOUIGPKRY-IKGGRYGDSA-N
XLogP1.92
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole with MolForge

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Related Compounds

3-[[(3R,3aR,6aS)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]methyl]benzonitrile
CID 97459568
(3S,3aS,6aR)-3-(oxan-4-ylmethoxy)-1-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 133141542
(3R,3aR,6aS)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;2,2,2-trifluoroacetic acid
CID 127021275
[(3S,3aS,6aR)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-thiophen-2-ylmethanone
CID 133140875
(3R,3aR,7aS)-1-(furan-2-ylmethyl)-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124794268
2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677492
(3S,3aS,6aR)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 133140889
1-(furan-2-ylmethyl)-5-oxo-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 53497974
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368018
(3S,3aS,7aR)-1-(furan-2-ylmethyl)-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155854697
(3S,3aS,6aR)-3-(cyclopropylmethoxy)-1-(1-methylimidazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 133142679

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The IUPAC name of (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole (CID 125196271) is (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole.
What is the SMILES notation for (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The canonical SMILES for (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole is c1coc(CN2C[C@H](OCC3CCOCC3)[C@@H]3COC[C@@H]32)c1.
What is the InChIKey of (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The InChIKey is KKKYAQOUIGPKRY-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H25NO4/c1-2-14(21-5-1)8-18-9-17(15-11-20-12-16(15)18)22-10-13-3-6-19-7-4-13/h1-2,5,13,15-17H,3-4,6-12H2/t15-,16+,17+/m1/s1.
What are the key properties of (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole has a molecular weight of 307.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole is sourced from PubChem (CID 125196271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).