3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone

C13H19NO — CID 91000178

IUPAC3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CC=CCC2)CC1
InChIInChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h2-3,12H,1,4-10H2
InChIKeyIYDWJTVQCJAPPL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone

3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone (PubChem CID 91000178) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone
PubChem CID91000178
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CC=CCC2)CC1
InChIInChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h2-3,12H,1,4-10H2
InChIKeyIYDWJTVQCJAPPL-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
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-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-(1-cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
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-Diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide
CID 70476973

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone (CID 91000178) is 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone is C=C1CCC(C(=O)N2CC=CCC2)CC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone?
The InChIKey is IYDWJTVQCJAPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h2-3,12H,1,4-10H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone has a molecular weight of 205.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone is sourced from PubChem (CID 91000178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).