furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone

C19H27NO5 — CID 134690207

IUPACfuran-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC2O[C@H](COCC3CCOCC3)CCC21
InChIInChI=1S/C19H27NO5/c21-19(18-2-1-9-24-18)20-8-5-17-16(20)4-3-15(25-17)13-23-12-14-6-10-22-11-7-14/h1-2,9,14-17H,3-8,10-13H2/t15-,16?,17?/m0/s1
InChIKeyULRQJUGYPBNUSL-GTPINHCMSA-N
MW349.43 g/mol
LogP2.48
Rot. Bonds5

About furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone

furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone (PubChem CID 134690207) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
PubChem CID134690207
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namefuran-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC2O[C@H](COCC3CCOCC3)CCC21
InChIInChI=1S/C19H27NO5/c21-19(18-2-1-9-24-18)20-8-5-17-16(20)4-3-15(25-17)13-23-12-14-6-10-22-11-7-14/h1-2,9,14-17H,3-8,10-13H2/t15-,16?,17?/m0/s1
InChIKeyULRQJUGYPBNUSL-GTPINHCMSA-N
XLogP2.48
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[(5R)-5-(pyridin-3-yloxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
CID 134689971
4-[(3aS,7aS)-5-(cyclopropylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carbonyl]benzonitrile
CID 131642712
[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(furan-2-yl)methanone
CID 97459000
(3aR,5R,7aR)-5-(oxan-4-ylmethoxymethyl)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 127023034
1-[(3aS,5S,7aS)-5-(cyclopropylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-thiophen-3-ylethanone
CID 124788320
(3aS,5R,7aS)-1-methylsulfonyl-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387213
(3aR,5R,7aR)-5-(oxan-4-ylmethoxymethyl)-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171693497
1-[(3aS,5S,7aS)-5-(ethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-phenylethanone
CID 97460556
furan-2-yl-[(8S)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422026
furan-2-yl-[(8R)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422025
1-[(5R)-5-(ethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-3-phenylpropan-1-one
CID 134689415
(3aR,5R,7aR)-1-[(5-methylfuran-2-yl)methyl]-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97404039

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone?
The IUPAC name of furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone (CID 134690207) is furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone is O=C(c1ccco1)N1CCC2O[C@H](COCC3CCOCC3)CCC21.
What is the InChIKey of furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone?
The InChIKey is ULRQJUGYPBNUSL-GTPINHCMSA-N. The full InChI is InChI=1S/C19H27NO5/c21-19(18-2-1-9-24-18)20-8-5-17-16(20)4-3-15(25-17)13-23-12-14-6-10-22-11-7-14/h1-2,9,14-17H,3-8,10-13H2/t15-,16?,17?/m0/s1.
What are the key properties of furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone?
furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone is sourced from PubChem (CID 134690207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).