1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one

C15H25NO — CID 171937877

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
SMILESC=CCCCCC(=O)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H25NO/c1-2-3-4-5-9-15(17)12-10-13-7-6-8-14(11-12)16-13/h2,12-14,16H,1,3-11H2
InChIKeyQCBISPAWTLZTQV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.22
Rot. Bonds6

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one (PubChem CID 171937877) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
PubChem CID171937877
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
SMILESC=CCCCCC(=O)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H25NO/c1-2-3-4-5-9-15(17)12-10-13-7-6-8-14(11-12)16-13/h2,12-14,16H,1,3-11H2
InChIKeyQCBISPAWTLZTQV-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9-azabicyclo[3.3.1]nonan-3-yl)pent-4-en-1-one
CID 171938408
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
CID 171950141
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)non-8-en-1-one
CID 171945402
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-methylhex-4-en-1-one
CID 171937926
1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
CID 171941663
1-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)dodec-11-en-1-one
CID 171948467
1-piperidin-3-yloct-7-en-1-one
CID 107010785
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenylbutan-1-one
CID 171947997
1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
CID 171941682
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
CID 171938145
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenoxybutan-1-one
CID 171940778
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one (CID 171937877) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one is C=CCCCCC(=O)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one?
The InChIKey is QCBISPAWTLZTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-9-15(17)12-10-13-7-6-8-14(11-12)16-13/h2,12-14,16H,1,3-11H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one is sourced from PubChem (CID 171937877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).