1-[dimethyl(phenyl)silyl]azepan-2-one

C14H21NOSi — CID 54556615

IUPAC1-[dimethyl(phenyl)silyl]azepan-2-one
SMILESC[Si](C)(c1ccccc1)N1CCCCCC1=O
InChIInChI=1S/C14H21NOSi/c1-17(2,13-9-5-3-6-10-13)15-12-8-4-7-11-14(15)16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyZNPLOSPAZVJHLT-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.50
Rot. Bonds2

About 1-[dimethyl(phenyl)silyl]azepan-2-one

1-[dimethyl(phenyl)silyl]azepan-2-one (PubChem CID 54556615) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]azepan-2-one.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]azepan-2-one
PubChem CID54556615
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-[dimethyl(phenyl)silyl]azepan-2-one
SMILESC[Si](C)(c1ccccc1)N1CCCCCC1=O
InChIInChI=1S/C14H21NOSi/c1-17(2,13-9-5-3-6-10-13)15-12-8-4-7-11-14(15)16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyZNPLOSPAZVJHLT-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]azepan-2-one?
The IUPAC name of 1-[dimethyl(phenyl)silyl]azepan-2-one (CID 54556615) is 1-[dimethyl(phenyl)silyl]azepan-2-one.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]azepan-2-one?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]azepan-2-one is C[Si](C)(c1ccccc1)N1CCCCCC1=O.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]azepan-2-one?
The InChIKey is ZNPLOSPAZVJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-17(2,13-9-5-3-6-10-13)15-12-8-4-7-11-14(15)16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]azepan-2-one?
1-[dimethyl(phenyl)silyl]azepan-2-one has a molecular weight of 247.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]azepan-2-one is sourced from PubChem (CID 54556615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).