1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone

C18H19NO — CID 71653255

IUPAC1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3c(c2)CCCC3)nc1C
InChIInChI=1S/C18H19NO/c1-12-17(13(2)20)9-10-18(19-12)16-8-7-14-5-3-4-6-15(14)11-16/h7-11H,3-6H2,1-2H3
InChIKeyAKRLXQMIXZBGOL-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.14
Rot. Bonds2

About 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone

1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone (PubChem CID 71653255) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone
PubChem CID71653255
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3c(c2)CCCC3)nc1C
InChIInChI=1S/C18H19NO/c1-12-17(13(2)20)9-10-18(19-12)16-8-7-14-5-3-4-6-15(14)11-16/h7-11H,3-6H2,1-2H3
InChIKeyAKRLXQMIXZBGOL-UHFFFAOYSA-N
XLogP4.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone (CID 71653255) is 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2ccc3c(c2)CCCC3)nc1C.
What is the InChIKey of 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone?
The InChIKey is AKRLXQMIXZBGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-17(13(2)20)9-10-18(19-12)16-8-7-14-5-3-4-6-15(14)11-16/h7-11H,3-6H2,1-2H3.
What are the key properties of 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone?
1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 71653255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).