5-(furan-3-yl)-1,2,3,6-tetrahydropyridine

C9H11NO — CID 130506685

IUPAC5-(furan-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccoc2)CNCC1
InChIInChI=1S/C9H11NO/c1-2-8(6-10-4-1)9-3-5-11-7-9/h2-3,5,7,10H,1,4,6H2
InChIKeyMMWGZRKGNKQFEP-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.66
Rot. Bonds1

About 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine

5-(furan-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 130506685) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(furan-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID130506685
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-(furan-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccoc2)CNCC1
InChIInChI=1S/C9H11NO/c1-2-8(6-10-4-1)9-3-5-11-7-9/h2-3,5,7,10H,1,4,6H2
InChIKeyMMWGZRKGNKQFEP-UHFFFAOYSA-N
XLogP1.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine (CID 130506685) is 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine is C1=C(c2ccoc2)CNCC1.
What is the InChIKey of 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is MMWGZRKGNKQFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-8(6-10-4-1)9-3-5-11-7-9/h2-3,5,7,10H,1,4,6H2.
What are the key properties of 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine?
5-(furan-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 149.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 130506685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).