2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine

C19H17NO — CID 144831184

IUPAC2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine
SMILESCc1ccc2c(oc3c(C)cccc32)c1C1C=CC=CN1
InChIInChI=1S/C19H17NO/c1-12-9-10-15-14-7-5-6-13(2)18(14)21-19(15)17(12)16-8-3-4-11-20-16/h3-11,16,20H,1-2H3
InChIKeyDLUUAXBGENLVBV-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.92
Rot. Bonds1

About 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine

2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine (PubChem CID 144831184) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine
PubChem CID144831184
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine
SMILESCc1ccc2c(oc3c(C)cccc32)c1C1C=CC=CN1
InChIInChI=1S/C19H17NO/c1-12-9-10-15-14-7-5-6-13(2)18(14)21-19(15)17(12)16-8-3-4-11-20-16/h3-11,16,20H,1-2H3
InChIKeyDLUUAXBGENLVBV-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine (CID 144831184) is 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine is Cc1ccc2c(oc3c(C)cccc32)c1C1C=CC=CN1.
What is the InChIKey of 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine?
The InChIKey is DLUUAXBGENLVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-12-9-10-15-14-7-5-6-13(2)18(14)21-19(15)17(12)16-8-3-4-11-20-16/h3-11,16,20H,1-2H3.
What are the key properties of 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine?
2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine has a molecular weight of 275.35 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 144831184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).