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

C14H20N2O — CID 97415953

IUPAC(2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1
InChIInChI=1S/C14H20N2O/c1-11-8-12-5-7-16(10-14(12)17-11)9-13-4-2-3-6-15-13/h2-4,6,11-12,14H,5,7-10H2,1H3/t11-,12+,14-/m1/s1
InChIKeyNVBQFSKORISUED-MBNYWOFBSA-N
MW232.33 g/mol
LogP2.08
Rot. Bonds2

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

(2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97415953) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97415953
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1
InChIInChI=1S/C14H20N2O/c1-11-8-12-5-7-16(10-14(12)17-11)9-13-4-2-3-6-15-13/h2-4,6,11-12,14H,5,7-10H2,1H3/t11-,12+,14-/m1/s1
InChIKeyNVBQFSKORISUED-MBNYWOFBSA-N
XLogP2.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97415953) is (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is C[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1.
What is the InChIKey of (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is NVBQFSKORISUED-MBNYWOFBSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-8-12-5-7-16(10-14(12)17-11)9-13-4-2-3-6-15-13/h2-4,6,11-12,14H,5,7-10H2,1H3/t11-,12+,14-/m1/s1.
What are the key properties of (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 232.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-2-methyl-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97415953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).