3,3-dimethyl-1-trimethylsilylazepan-2-one

C11H23NOSi — CID 134877298

IUPAC3,3-dimethyl-1-trimethylsilylazepan-2-one
SMILESCC1(C)CCCCN([Si](C)(C)C)C1=O
InChIInChI=1S/C11H23NOSi/c1-11(2)8-6-7-9-12(10(11)13)14(3,4)5/h6-9H2,1-5H3
InChIKeySPCPJNQKXVLEEL-UHFFFAOYSA-N
MW213.40 g/mol
LogP2.86
Rot. Bonds1

About 3,3-dimethyl-1-trimethylsilylazepan-2-one

3,3-dimethyl-1-trimethylsilylazepan-2-one (PubChem CID 134877298) has the molecular formula C11H23NOSi and a molecular weight of 213.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-trimethylsilylazepan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-trimethylsilylazepan-2-one
PubChem CID134877298
Molecular FormulaC11H23NOSi
Molecular Weight213.40 g/mol
Exact Mass213.15
IUPAC Name3,3-dimethyl-1-trimethylsilylazepan-2-one
SMILESCC1(C)CCCCN([Si](C)(C)C)C1=O
InChIInChI=1S/C11H23NOSi/c1-11(2)8-6-7-9-12(10(11)13)14(3,4)5/h6-9H2,1-5H3
InChIKeySPCPJNQKXVLEEL-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3,3-dimethylpiperidin-2-one
CID 89133568
6-methyl-6-azaspiro[3.6]decan-5-one
CID 12509314
1,3,3-trimethylazepane-2,7-dione
CID 71345372
ethane;1,3,3-trimethyl-2-methylideneazepane
CID 143837467
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one
CID 140709512
1-acetyl-3,3-dimethylpyrrolidin-2-one
CID 175236752
1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one
CID 15280063
3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride
CID 157326367
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
1,3,3-trimethylpiperidine-2,6-dione
CID 13462179
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 21018613

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-trimethylsilylazepan-2-one?
The IUPAC name of 3,3-dimethyl-1-trimethylsilylazepan-2-one (CID 134877298) is 3,3-dimethyl-1-trimethylsilylazepan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-trimethylsilylazepan-2-one?
The canonical SMILES for 3,3-dimethyl-1-trimethylsilylazepan-2-one is CC1(C)CCCCN([Si](C)(C)C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-trimethylsilylazepan-2-one?
The InChIKey is SPCPJNQKXVLEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOSi/c1-11(2)8-6-7-9-12(10(11)13)14(3,4)5/h6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-trimethylsilylazepan-2-one?
3,3-dimethyl-1-trimethylsilylazepan-2-one has a molecular weight of 213.40 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-trimethylsilylazepan-2-one is sourced from PubChem (CID 134877298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).