5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one

C13H15NO — CID 130595767

IUPAC5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(Cc2ccccn2)C1
InChIInChI=1S/C13H15NO/c1-10-6-11(9-13(15)7-10)8-12-4-2-3-5-14-12/h2-5,9-10H,6-8H2,1H3
InChIKeyHSSIYLDVTYQIIN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.55
Rot. Bonds2

About 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one

5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one (PubChem CID 130595767) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one
PubChem CID130595767
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(Cc2ccccn2)C1
InChIInChI=1S/C13H15NO/c1-10-6-11(9-13(15)7-10)8-12-4-2-3-5-14-12/h2-5,9-10H,6-8H2,1H3
InChIKeyHSSIYLDVTYQIIN-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-(thiadiazol-4-ylmethyl)cyclohex-2-en-1-one
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5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
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3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
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(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
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(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
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2-ethylpyridine;sulfurous acid
CID 174743952
5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one (CID 130595767) is 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one is CC1CC(=O)C=C(Cc2ccccn2)C1.
What is the InChIKey of 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is HSSIYLDVTYQIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-6-11(9-13(15)7-10)8-12-4-2-3-5-14-12/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one?
5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 130595767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).