2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine

C13H13NO — CID 70570893

IUPAC2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
SMILESC1=NC(c2cc3ccccc3o2)CCC1
InChIInChI=1S/C13H13NO/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-2,5,7-9,11H,3-4,6H2
InChIKeyUWPMEIMQZAQBAN-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.73
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine

2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 70570893) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
PubChem CID70570893
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
SMILESC1=NC(c2cc3ccccc3o2)CCC1
InChIInChI=1S/C13H13NO/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-2,5,7-9,11H,3-4,6H2
InChIKeyUWPMEIMQZAQBAN-UHFFFAOYSA-N
XLogP3.73
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Benzofuran-2-yl)ethan-1-amine
CID 3164026
2-(Aminomethyl)benzofuran
CID 19079348
2-(1-Benzofuran-2-yl)-1-methylpyrrolidine
CID 44398756
(2S)-2-(1-benzofuran-2-yl)-1-methylpyrrolidine
CID 137659842
(5-Methyl-1-benzofuran-2-yl)methanamine
CID 45122674
(5-Fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 45792463
(1-Benzofuran-2-yl)(phenyl)methanamine hydrochloride
CID 16297685
1-(5-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 18965420
[1-(1-Benzofuran-2-yl)ethyl](methyl)amine
CID 20117514
1-Benzofuran-2-ylmethanamine hydrochloride
CID 22467483
2-Methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine
CID 43149664
1-(7-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 43248591

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine (CID 70570893) is 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine is C1=NC(c2cc3ccccc3o2)CCC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is UWPMEIMQZAQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-2,5,7-9,11H,3-4,6H2.
What are the key properties of 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine?
2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 199.25 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 70570893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).