[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol

C9H17NO2 — CID 125457537

IUPAC[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol
SMILESC[C@@H]1C[C@@]2(CO)CNCC[C@H]2O1
InChIInChI=1S/C9H17NO2/c1-7-4-9(6-11)5-10-3-2-8(9)12-7/h7-8,10-11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyKWDMUNBBCHJZFE-HLTSFMKQSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds1

About [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol

[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol (PubChem CID 125457537) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol.

Molecular Properties

Compound Name[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol
PubChem CID125457537
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol
SMILESC[C@@H]1C[C@@]2(CO)CNCC[C@H]2O1
InChIInChI=1S/C9H17NO2/c1-7-4-9(6-11)5-10-3-2-8(9)12-7/h7-8,10-11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyKWDMUNBBCHJZFE-HLTSFMKQSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol?
The IUPAC name of [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol (CID 125457537) is [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol.
What is the SMILES notation for [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol?
The canonical SMILES for [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol is C[C@@H]1C[C@@]2(CO)CNCC[C@H]2O1.
What is the InChIKey of [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol?
The InChIKey is KWDMUNBBCHJZFE-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-9(6-11)5-10-3-2-8(9)12-7/h7-8,10-11H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol?
[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol is sourced from PubChem (CID 125457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).