2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

C17H17NO — CID 79429581

IUPAC2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCc1cccnc1
InChIInChI=1S/C17H17NO/c19-17-15(8-7-13-4-3-11-18-12-13)10-9-14-5-1-2-6-16(14)17/h1-6,11-12,15H,7-10H2
InChIKeyICZBRGBKPLCELX-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 79429581) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID79429581
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCc1cccnc1
InChIInChI=1S/C17H17NO/c19-17-15(8-7-13-4-3-11-18-12-13)10-9-14-5-1-2-6-16(14)17/h1-6,11-12,15H,7-10H2
InChIKeyICZBRGBKPLCELX-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-pyridin-3-ylethyl)cyclopentan-1-one
CID 79429572
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10062167
3-(2-cyclobutylethyl)pyridine
CID 57204476
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 63399483
6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 79429311
2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one
CID 11107385
2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
CID 103410639
7-(2-nitroethyl)-6,7-dihydro-5H-isoquinolin-8-one
CID 11345024
3-(9H-fluoren-9-ylmethyl)pyridine
CID 141318788
1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 91323687

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 79429581) is 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CCc1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ICZBRGBKPLCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-15(8-7-13-4-3-11-18-12-13)10-9-14-5-1-2-6-16(14)17/h1-6,11-12,15H,7-10H2.
What are the key properties of 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 79429581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).