1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C14H17NO — CID 154320676

IUPAC1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cccc(C)c2)CC1
InChIInChI=1S/C14H17NO/c1-11-4-3-5-14(10-11)13-6-8-15(9-7-13)12(2)16/h3-6,10H,7-9H2,1-2H3
InChIKeyWZIUONNYLVKQRA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds1

About 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 154320676) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID154320676
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cccc(C)c2)CC1
InChIInChI=1S/C14H17NO/c1-11-4-3-5-14(10-11)13-6-8-15(9-7-13)12(2)16/h3-6,10H,7-9H2,1-2H3
InChIKeyWZIUONNYLVKQRA-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165380250
2-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977486
[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122138551
(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146103752
4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
CID 122138535
2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 57336606
1-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159424789
4-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 22397819
tert-butyl 4-(3-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166095111
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
CID 120699138

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 154320676) is 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is WZIUONNYLVKQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-3-5-14(10-11)13-6-8-15(9-7-13)12(2)16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 215.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 154320676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).