2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine

C16H17N — CID 137491209

IUPAC2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine
SMILESCC1CC=Cc2c1cccc2C1C=CC=CN1
InChIInChI=1S/C16H17N/c1-12-6-4-8-14-13(12)7-5-9-15(14)16-10-2-3-11-17-16/h2-5,7-12,16-17H,6H2,1H3
InChIKeyHKCZFJFCJBUMED-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.92
Rot. Bonds1

About 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine

2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine (PubChem CID 137491209) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine
PubChem CID137491209
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine
SMILESCC1CC=Cc2c1cccc2C1C=CC=CN1
InChIInChI=1S/C16H17N/c1-12-6-4-8-14-13(12)7-5-9-15(14)16-10-2-3-11-17-16/h2-5,7-12,16-17H,6H2,1H3
InChIKeyHKCZFJFCJBUMED-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine (CID 137491209) is 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine is CC1CC=Cc2c1cccc2C1C=CC=CN1.
What is the InChIKey of 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine?
The InChIKey is HKCZFJFCJBUMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-6-4-8-14-13(12)7-5-9-15(14)16-10-2-3-11-17-16/h2-5,7-12,16-17H,6H2,1H3.
What are the key properties of 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine?
2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine has a molecular weight of 223.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine is sourced from PubChem (CID 137491209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).