3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine

C15H19NO — CID 158718137

IUPAC3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.O=C1CCCc2ccccc21
InChIInChI=1S/C10H10O.C5H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-6-5-3-1/h1-2,4,6H,3,5,7H2;2,4,6H,1,3,5H2
InChIKeyIJORKZYXOUPEEB-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.09
Rot. Bonds

About 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine

3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine (PubChem CID 158718137) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine
PubChem CID158718137
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.O=C1CCCc2ccccc21
InChIInChI=1S/C10H10O.C5H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-6-5-3-1/h1-2,4,6H,3,5,7H2;2,4,6H,1,3,5H2
InChIKeyIJORKZYXOUPEEB-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine?
The IUPAC name of 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine (CID 158718137) is 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine is C1=CNCCC1.O=C1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine?
The InChIKey is IJORKZYXOUPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C5H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-6-5-3-1/h1-2,4,6H,3,5,7H2;2,4,6H,1,3,5H2.
What are the key properties of 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine?
3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine has a molecular weight of 229.32 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 158718137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).