1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one

C15H23NO — CID 90627288

IUPAC1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1C2C=CCC1CC2
InChIInChI=1S/C15H23NO/c17-15(11-8-12-4-1-2-5-12)16-13-6-3-7-14(16)10-9-13/h3,6,12-14H,1-2,4-5,7-11H2
InChIKeyCJUTVOZFJDULSL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.28
Rot. Bonds3

About 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one

1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one (PubChem CID 90627288) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one
PubChem CID90627288
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1C2C=CCC1CC2
InChIInChI=1S/C15H23NO/c17-15(11-8-12-4-1-2-5-12)16-13-6-3-7-14(16)10-9-13/h3,6,12-14H,1-2,4-5,7-11H2
InChIKeyCJUTVOZFJDULSL-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.28
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 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one (CID 90627288) is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1C2C=CCC1CC2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one?
The InChIKey is CJUTVOZFJDULSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15(11-8-12-4-1-2-5-12)16-13-6-3-7-14(16)10-9-13/h3,6,12-14H,1-2,4-5,7-11H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one?
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 90627288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).