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

C13H19NO2 — CID 124830929

IUPAC(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC[C@@H]1C[C@@H]2CN(Cc3ccoc3)CC[C@H]2O1
InChIInChI=1S/C13H19NO2/c1-10-6-12-8-14(4-2-13(12)16-10)7-11-3-5-15-9-11/h3,5,9-10,12-13H,2,4,6-8H2,1H3/t10-,12-,13-/m1/s1
InChIKeyKALWPCOXOMEFGQ-RAIGVLPGSA-N
MW221.30 g/mol
LogP2.28
Rot. Bonds2

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

(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 124830929) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID124830929
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC[C@@H]1C[C@@H]2CN(Cc3ccoc3)CC[C@H]2O1
InChIInChI=1S/C13H19NO2/c1-10-6-12-8-14(4-2-13(12)16-10)7-11-3-5-15-9-11/h3,5,9-10,12-13H,2,4,6-8H2,1H3/t10-,12-,13-/m1/s1
InChIKeyKALWPCOXOMEFGQ-RAIGVLPGSA-N
XLogP2.28
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 124830929) is (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is C[C@@H]1C[C@@H]2CN(Cc3ccoc3)CC[C@H]2O1.
What is the InChIKey of (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is KALWPCOXOMEFGQ-RAIGVLPGSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-6-12-8-14(4-2-13(12)16-10)7-11-3-5-15-9-11/h3,5,9-10,12-13H,2,4,6-8H2,1H3/t10-,12-,13-/m1/s1.
What are the key properties of (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 221.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 124830929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).