9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one

C13H19NO — CID 164654689

IUPAC9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C1C=CCC1
InChIInChI=1S/C13H19NO/c15-13-8-11-6-3-7-12(9-13)14(11)10-4-1-2-5-10/h1,4,10-12H,2-3,5-9H2
InChIKeyDWBHRKILLDDZTD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds1

About 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one

9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 164654689) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID164654689
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C1C=CCC1
InChIInChI=1S/C13H19NO/c15-13-8-11-6-3-7-12(9-13)14(11)10-4-1-2-5-10/h1,4,10-12H,2-3,5-9H2
InChIKeyDWBHRKILLDDZTD-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.29
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 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one (CID 164654689) is 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2C1C=CCC1.
What is the InChIKey of 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is DWBHRKILLDDZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-8-11-6-3-7-12(9-13)14(11)10-4-1-2-5-10/h1,4,10-12H,2-3,5-9H2.
What are the key properties of 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 205.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 164654689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).