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

C16H15NO — CID 3346379

IUPAC2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1Cc1ccncc1
InChIInChI=1S/C16H15NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-10,14H,5-6,11H2
InChIKeyLQEDVMDTNOBJHU-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.07
Rot. Bonds2

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

2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 3346379) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID3346379
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1Cc1ccncc1
InChIInChI=1S/C16H15NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-10,14H,5-6,11H2
InChIKeyLQEDVMDTNOBJHU-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Isoquinolinium-2-yl-1-phenylethan-1-one bromide
CID 2794851

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 3346379) is 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1Cc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LQEDVMDTNOBJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-10,14H,5-6,11H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 3346379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).