4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine

C15H17NO — CID 126512302

IUPAC4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine
SMILESCC1(C)COc2ccc(C3=CCN=CC3)cc21
InChIInChI=1S/C15H17NO/c1-15(2)10-17-14-4-3-12(9-13(14)15)11-5-7-16-8-6-11/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyRQGNHOOLHFDKCI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.21
Rot. Bonds1

About 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine

4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine (PubChem CID 126512302) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine
PubChem CID126512302
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine
SMILESCC1(C)COc2ccc(C3=CCN=CC3)cc21
InChIInChI=1S/C15H17NO/c1-15(2)10-17-14-4-3-12(9-13(14)15)11-5-7-16-8-6-11/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyRQGNHOOLHFDKCI-UHFFFAOYSA-N
XLogP3.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine?
The IUPAC name of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine (CID 126512302) is 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine.
What is the SMILES notation for 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine?
The canonical SMILES for 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine is CC1(C)COc2ccc(C3=CCN=CC3)cc21.
What is the InChIKey of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine?
The InChIKey is RQGNHOOLHFDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(2)10-17-14-4-3-12(9-13(14)15)11-5-7-16-8-6-11/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine?
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine has a molecular weight of 227.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine is sourced from PubChem (CID 126512302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).