2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone

C13H21NO — CID 12760901

IUPAC2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CC=CCC1
InChIInChI=1S/C13H21NO/c15-13(14-9-5-2-6-10-14)11-12-7-3-1-4-8-12/h2,5,12H,1,3-4,6-11H2
InChIKeyWNVNMVBTKVSFIW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds2

About 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone

2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 12760901) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID12760901
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CC=CCC1
InChIInChI=1S/C13H21NO/c15-13(14-9-5-2-6-10-14)11-12-7-3-1-4-8-12/h2,5,12H,1,3-4,6-11H2
InChIKeyWNVNMVBTKVSFIW-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,6-Dihydropyridin-1(2H)-yl)-2-methylpentan-1-one
CID 602332
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
(Cyclohex-2-en-1-yl)(3,6-dihydropyridin-1(2H)-yl)methanone
CID 3059805
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone
CID 164640600
3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
CID 122647561
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 128104626
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169023692
N,N-diethylcyclohex-3-ene-1-carboxamide
CID 304105
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
(E)-N,N-diethyl-3-propylhex-4-enamide
CID 13183965

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 12760901) is 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone is O=C(CC1CCCCC1)N1CC=CCC1.
What is the InChIKey of 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is WNVNMVBTKVSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(14-9-5-2-6-10-14)11-12-7-3-1-4-8-12/h2,5,12H,1,3-4,6-11H2.
What are the key properties of 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 12760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).