4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid

C11H21NO2Si — CID 151907959

IUPAC4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid
SMILESCN(C1C=CC(C(=O)O)CC1)[Si](C)(C)C
InChIInChI=1S/C11H21NO2Si/c1-12(15(2,3)4)10-7-5-9(6-8-10)11(13)14/h5,7,9-10H,6,8H2,1-4H3,(H,13,14)
InChIKeySUDMEYPBRSAEPO-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.17
Rot. Bonds3

About 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid

4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid (PubChem CID 151907959) has the molecular formula C11H21NO2Si and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid
PubChem CID151907959
Molecular FormulaC11H21NO2Si
Molecular Weight227.38 g/mol
Exact Mass227.13
IUPAC Name4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid
SMILESCN(C1C=CC(C(=O)O)CC1)[Si](C)(C)C
InChIInChI=1S/C11H21NO2Si/c1-12(15(2,3)4)10-7-5-9(6-8-10)11(13)14/h5,7,9-10H,6,8H2,1-4H3,(H,13,14)
InChIKeySUDMEYPBRSAEPO-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid?
The IUPAC name of 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid (CID 151907959) is 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid is CN(C1C=CC(C(=O)O)CC1)[Si](C)(C)C.
What is the InChIKey of 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid?
The InChIKey is SUDMEYPBRSAEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2Si/c1-12(15(2,3)4)10-7-5-9(6-8-10)11(13)14/h5,7,9-10H,6,8H2,1-4H3,(H,13,14).
What are the key properties of 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid?
4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid has a molecular weight of 227.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(trimethylsilyl)amino]cyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 151907959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).