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

C12H19NO — CID 3047538

IUPACcyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC=CCC1
InChIInChI=1S/C12H19NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2,5,11H,1,3-4,6-10H2
InChIKeyWLAJTKMPLRCMSD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds1

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

cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 3047538) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID3047538
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namecyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC=CCC1
InChIInChI=1S/C12H19NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2,5,11H,1,3-4,6-10H2
InChIKeyWLAJTKMPLRCMSD-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,6-Dihydropyridin-1(2H)-yl)-2-methylpentan-1-one
CID 602332
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
(Cyclohex-2-en-1-yl)(3,6-dihydropyridin-1(2H)-yl)methanone
CID 3059805
2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 164631635
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
1-(3-Cyclohexen-1-ylcarbonyl)-3-methylpiperidine
CID 3052996

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 3047538) is cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CCCCC1)N1CC=CCC1.
What is the InChIKey of cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is WLAJTKMPLRCMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2,5,11H,1,3-4,6-10H2.
What are the key properties of cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone?
cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 193.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 3047538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).