cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone

C15H21NO — CID 142870105

IUPACcyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone
SMILESC=C1C(C(=O)C2CCCCC2)=CC=CN1CC
InChIInChI=1S/C15H21NO/c1-3-16-11-7-10-14(12(16)2)15(17)13-8-5-4-6-9-13/h7,10-11,13H,2-6,8-9H2,1H3
InChIKeyFCEXZABEZHIQDG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.43
Rot. Bonds3

About cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone

cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone (PubChem CID 142870105) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone
PubChem CID142870105
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namecyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone
SMILESC=C1C(C(=O)C2CCCCC2)=CC=CN1CC
InChIInChI=1S/C15H21NO/c1-3-16-11-7-10-14(12(16)2)15(17)13-8-5-4-6-9-13/h7,10-11,13H,2-6,8-9H2,1H3
InChIKeyFCEXZABEZHIQDG-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Azatricyclo[7.3.1.05,13]trideca-3,5(13),11-trien-6-one
CID 57212606
1-methyl-3-(4-oxo-cyclohexyl)-1H-pyridin-2-one
CID 66750433
4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 67947477
(3E)-3-[(Z)-but-2-enylidene]-1-butyl-2-methylidene-4a,5,6,8a-tetrahydroquinolin-4-one
CID 89196939
1-[4-(6,7-Dimethylnona-6,8-dienyl)-3-[methyl(3-methylpenta-1,3-dien-2-yl)amino]cyclohexa-1,3-dien-1-yl]-2-methylhexan-1-one
CID 123532213
6-[1-[Cyclohexyl(methyl)amino]ethenyl]-5-ethenyl-3-methylidene-3a,4-dihydroinden-1-one
CID 130435851
1-(4-heptylcyclohexyl)-4-methyl-5-(2H-pyridin-1-yl)penta-2,4-dien-1-one
CID 139691003
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 140969179
2-[(dimethylamino)methyl]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 141305909
1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-benzo[de]quinolin-7-one
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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone?
The IUPAC name of cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone (CID 142870105) is cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone.
What is the SMILES notation for cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone?
The canonical SMILES for cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone is C=C1C(C(=O)C2CCCCC2)=CC=CN1CC.
What is the InChIKey of cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone?
The InChIKey is FCEXZABEZHIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-16-11-7-10-14(12(16)2)15(17)13-8-5-4-6-9-13/h7,10-11,13H,2-6,8-9H2,1H3.
What are the key properties of cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone?
cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-ethyl-2-methylidene-3-pyridinyl)methanone is sourced from PubChem (CID 142870105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).