1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one

C14H25NOSi — CID 171938048

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one
SMILESC=C(C(=O)C1CC2CCCC(C1)N2)[Si](C)(C)C
InChIInChI=1S/C14H25NOSi/c1-10(17(2,3)4)14(16)11-8-12-6-5-7-13(9-11)15-12/h11-13,15H,1,5-9H2,2-4H3
InChIKeyHDPCMJZAPWYSJW-UHFFFAOYSA-N
MW251.45 g/mol
LogP2.91
Rot. Bonds3

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one (PubChem CID 171938048) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one
PubChem CID171938048
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one
SMILESC=C(C(=O)C1CC2CCCC(C1)N2)[Si](C)(C)C
InChIInChI=1S/C14H25NOSi/c1-10(17(2,3)4)14(16)11-8-12-6-5-7-13(9-11)15-12/h11-13,15H,1,5-9H2,2-4H3
InChIKeyHDPCMJZAPWYSJW-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one (CID 171938048) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one is C=C(C(=O)C1CC2CCCC(C1)N2)[Si](C)(C)C.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one?
The InChIKey is HDPCMJZAPWYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-10(17(2,3)4)14(16)11-8-12-6-5-7-13(9-11)15-12/h11-13,15H,1,5-9H2,2-4H3.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-trimethylsilylprop-2-en-1-one has a molecular weight of 251.45 g/mol, XLogP of 2.91, 3 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)-2-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 171938048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).