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

C12H17NO — CID 3059805

IUPACcyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1C=CCCC1)N1CC=CCC1
InChIInChI=1S/C12H17NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2-3,5,7,11H,1,4,6,8-10H2
InChIKeyVSQZJIQLUFQBQC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds1

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

cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 3059805) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID3059805
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namecyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1C=CCCC1)N1CC=CCC1
InChIInChI=1S/C12H17NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2-3,5,7,11H,1,4,6,8-10H2
InChIKeyVSQZJIQLUFQBQC-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 3059805) is cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1C=CCCC1)N1CC=CCC1.
What is the InChIKey of cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is VSQZJIQLUFQBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2-3,5,7,11H,1,4,6,8-10H2.
What are the key properties of cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 191.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 3059805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).