3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one

C16H15NO — CID 11586733

IUPAC3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1Cc2ccccc2C(=O)C1c1cccnc1
InChIInChI=1S/C16H15NO/c1-11-9-12-5-2-3-7-14(12)16(18)15(11)13-6-4-8-17-10-13/h2-8,10-11,15H,9H2,1H3
InChIKeyMXAILWRTXBPUAK-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.24
Rot. Bonds1

About 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one

3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11586733) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11586733
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1Cc2ccccc2C(=O)C1c1cccnc1
InChIInChI=1S/C16H15NO/c1-11-9-12-5-2-3-7-14(12)16(18)15(11)13-6-4-8-17-10-13/h2-8,10-11,15H,9H2,1H3
InChIKeyMXAILWRTXBPUAK-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride
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3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-methylcyclobutyl)pyridine
CID 174716389
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
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3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 166648131
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
CID 22173484
(2S)-1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 176872171
3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
CID 79321168
2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one
CID 90480716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one (CID 11586733) is 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one is CC1Cc2ccccc2C(=O)C1c1cccnc1.
What is the InChIKey of 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MXAILWRTXBPUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-9-12-5-2-3-7-14(12)16(18)15(11)13-6-4-8-17-10-13/h2-8,10-11,15H,9H2,1H3.
What are the key properties of 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11586733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).