4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine

C15H17NO2 — CID 57196640

IUPAC4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc2c(C3=CCN(C)CC3)occ2c1
InChIInChI=1S/C15H17NO2/c1-16-7-5-11(6-8-16)15-14-4-3-13(17-2)9-12(14)10-18-15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyFDGPTIJNMPMZPM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.16
Rot. Bonds2

About 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine

4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 57196640) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID57196640
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc2c(C3=CCN(C)CC3)occ2c1
InChIInChI=1S/C15H17NO2/c1-16-7-5-11(6-8-16)15-14-4-3-13(17-2)9-12(14)10-18-15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyFDGPTIJNMPMZPM-UHFFFAOYSA-N
XLogP3.16
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 57196640) is 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine is COc1ccc2c(C3=CCN(C)CC3)occ2c1.
What is the InChIKey of 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is FDGPTIJNMPMZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-7-5-11(6-8-16)15-14-4-3-13(17-2)9-12(14)10-18-15/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 243.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-benzofuran-1-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 57196640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).