cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone

C13H19NO — CID 126855015

IUPACcyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C13H19NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h2-3,12H,1,4-10H2
InChIKeySMSNBBVFPARDFC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds1

About cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone (PubChem CID 126855015) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone
PubChem CID126855015
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namecyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C13H19NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h2-3,12H,1,4-10H2
InChIKeySMSNBBVFPARDFC-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

cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 95770969
cyclohex-3-en-1-yl-(2-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167824474
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894
[(1S)-cyclohex-3-en-1-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 96571910
cyclohex-3-en-1-yl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850162
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40579125
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone (CID 126855015) is cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone is C=C1CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone?
The InChIKey is SMSNBBVFPARDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h2-3,12H,1,4-10H2.
What are the key properties of cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)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 cyclohex-3-en-1-yl-(3-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 126855015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).