1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one

C15H23NO — CID 68832624

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one
SMILESO=C(CC1CC2C=CC1C2)CN1CCCCC1
InChIInChI=1S/C15H23NO/c17-15(11-16-6-2-1-3-7-16)10-14-9-12-4-5-13(14)8-12/h4-5,12-14H,1-3,6-11H2
InChIKeyIJQMRVPTKMLIPB-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one (PubChem CID 68832624) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one
PubChem CID68832624
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one
SMILESO=C(CC1CC2C=CC1C2)CN1CCCCC1
InChIInChI=1S/C15H23NO/c17-15(11-16-6-2-1-3-7-16)10-14-9-12-4-5-13(14)8-12/h4-5,12-14H,1-3,6-11H2
InChIKeyIJQMRVPTKMLIPB-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one (CID 68832624) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one is O=C(CC1CC2C=CC1C2)CN1CCCCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one?
The InChIKey is IJQMRVPTKMLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15(11-16-6-2-1-3-7-16)10-14-9-12-4-5-13(14)8-12/h4-5,12-14H,1-3,6-11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one?
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 68832624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).