2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone

C14H20O — CID 139915065

IUPAC2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone
SMILESO=C(C1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C14H20O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h6-7,10-13H,1-5,8-9H2
InChIKeyGGYGIDOEGYXTOS-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.35
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone

2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone (PubChem CID 139915065) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone
PubChem CID139915065
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone
SMILESO=C(C1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C14H20O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h6-7,10-13H,1-5,8-9H2
InChIKeyGGYGIDOEGYXTOS-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.35
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

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium
CID 87662542
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
bicyclo[2.2.1]hept-5-ene-2-carbothioic S-acid
CID 139905426
silver bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 121435616
(1-cyclopentylcyclohexyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 21136903
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-oxoacetaldehyde
CID 163214887
2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
CID 12760884
1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 69369090
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpropan-1-one
CID 102086343
3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-cyclohexylpropanoic acid
CID 167801016
2-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]oxyethyl (1S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71023765

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone (CID 139915065) is 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone is O=C(C1CCCCC1)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone?
The InChIKey is GGYGIDOEGYXTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h6-7,10-13H,1-5,8-9H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone?
2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone has a molecular weight of 204.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(cyclohexyl)methanone is sourced from PubChem (CID 139915065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).