2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine

C11H13NO2 — CID 54225097

IUPAC2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine
SMILESc1ccc(C23OCCC2CCO3)nc1
InChIInChI=1S/C11H13NO2/c1-2-6-12-10(3-1)11-9(4-7-13-11)5-8-14-11/h1-3,6,9H,4-5,7-8H2
InChIKeyQFHHHTJVXSMUAR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds1

About 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine

2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine (PubChem CID 54225097) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine.

Molecular Properties

Compound Name2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine
PubChem CID54225097
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine
SMILESc1ccc(C23OCCC2CCO3)nc1
InChIInChI=1S/C11H13NO2/c1-2-6-12-10(3-1)11-9(4-7-13-11)5-8-14-11/h1-3,6,9H,4-5,7-8H2
InChIKeyQFHHHTJVXSMUAR-UHFFFAOYSA-N
XLogP1.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine?
The IUPAC name of 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine (CID 54225097) is 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine.
What is the SMILES notation for 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine?
The canonical SMILES for 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine is c1ccc(C23OCCC2CCO3)nc1.
What is the InChIKey of 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine?
The InChIKey is QFHHHTJVXSMUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-6-12-10(3-1)11-9(4-7-13-11)5-8-14-11/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine?
2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine has a molecular weight of 191.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-6a-yl)pyridine is sourced from PubChem (CID 54225097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).