[(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate

C13H15NO5 — CID 10659330

IUPAC[(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate
SMILESC[C@@H]1C[C@@H]2[C@@H](OC[C@@H]2OC(=O)Oc2ccccn2)O1
InChIInChI=1S/C13H15NO5/c1-8-6-9-10(7-16-12(9)17-8)18-13(15)19-11-4-2-3-5-14-11/h2-5,8-10,12H,6-7H2,1H3/t8-,9+,10+,12+/m1/s1
InChIKeyNTWPZHNDMSUILT-WDCWCFNPSA-N
MW265.26 g/mol
LogP1.75
Rot. Bonds2

About [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate

[(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate (PubChem CID 10659330) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate.

Molecular Properties

Compound Name[(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate
PubChem CID10659330
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name[(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate
SMILESC[C@@H]1C[C@@H]2[C@@H](OC[C@@H]2OC(=O)Oc2ccccn2)O1
InChIInChI=1S/C13H15NO5/c1-8-6-9-10(7-16-12(9)17-8)18-13(15)19-11-4-2-3-5-14-11/h2-5,8-10,12H,6-7H2,1H3/t8-,9+,10+,12+/m1/s1
InChIKeyNTWPZHNDMSUILT-WDCWCFNPSA-N
XLogP1.75
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate with MolForge

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Related Compounds

[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
CID 90132201
dipyridin-2-yl carbonate
CID 2757370
[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate
CID 11338157
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 67291878
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
formic acid;pyridin-2-yl acetate
CID 174913305
pyridin-2-yl N-(azetidin-3-yl)carbamate
CID 175981988
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
CID 73294493
pyridin-2-yl N-phenylcarbamate
CID 4689975
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate?
The IUPAC name of [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate (CID 10659330) is [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate.
What is the SMILES notation for [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate?
The canonical SMILES for [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate is C[C@@H]1C[C@@H]2[C@@H](OC[C@@H]2OC(=O)Oc2ccccn2)O1.
What is the InChIKey of [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate?
The InChIKey is NTWPZHNDMSUILT-WDCWCFNPSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8-6-9-10(7-16-12(9)17-8)18-13(15)19-11-4-2-3-5-14-11/h2-5,8-10,12H,6-7H2,1H3/t8-,9+,10+,12+/m1/s1.
What are the key properties of [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate?
[(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate has a molecular weight of 265.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,5R,6aS)-5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] pyridin-2-yl carbonate is sourced from PubChem (CID 10659330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).