3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one

C13H25NOSi — CID 14814806

IUPAC3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one
SMILESCN(CCC1=CC(=O)CCC1)C[Si](C)(C)C
InChIInChI=1S/C13H25NOSi/c1-14(11-16(2,3)4)9-8-12-6-5-7-13(15)10-12/h10H,5-9,11H2,1-4H3
InChIKeyGVTDAANIANWGSC-UHFFFAOYSA-N
MW239.43 g/mol
LogP2.87
Rot. Bonds5

About 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one

3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one (PubChem CID 14814806) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one
PubChem CID14814806
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one
SMILESCN(CCC1=CC(=O)CCC1)C[Si](C)(C)C
InChIInChI=1S/C13H25NOSi/c1-14(11-16(2,3)4)9-8-12-6-5-7-13(15)10-12/h10H,5-9,11H2,1-4H3
InChIKeyGVTDAANIANWGSC-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one (CID 14814806) is 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one is CN(CCC1=CC(=O)CCC1)C[Si](C)(C)C.
What is the InChIKey of 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one?
The InChIKey is GVTDAANIANWGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-14(11-16(2,3)4)9-8-12-6-5-7-13(15)10-12/h10H,5-9,11H2,1-4H3.
What are the key properties of 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one?
3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one has a molecular weight of 239.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(trimethylsilylmethyl)amino]ethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 14814806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).