3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile

C8H13NOSi — CID 11816073

IUPAC3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile
SMILESC[Si](C)(C)C1(C#N)CC(=O)C1
InChIInChI=1S/C8H13NOSi/c1-11(2,3)8(6-9)4-7(10)5-8/h4-5H2,1-3H3
InChIKeyMMMAAXJGFJSDJO-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.95
Rot. Bonds1

About 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile

3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile (PubChem CID 11816073) has the molecular formula C8H13NOSi and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile
PubChem CID11816073
Molecular FormulaC8H13NOSi
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile
SMILESC[Si](C)(C)C1(C#N)CC(=O)C1
InChIInChI=1S/C8H13NOSi/c1-11(2,3)8(6-9)4-7(10)5-8/h4-5H2,1-3H3
InChIKeyMMMAAXJGFJSDJO-UHFFFAOYSA-N
XLogP1.95
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.95
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-oxo-1-trimethylsilylcyclobutane-1-carbonitrile?
The IUPAC name of 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile (CID 11816073) is 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile is C[Si](C)(C)C1(C#N)CC(=O)C1.
What is the InChIKey of 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile?
The InChIKey is MMMAAXJGFJSDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOSi/c1-11(2,3)8(6-9)4-7(10)5-8/h4-5H2,1-3H3.
What are the key properties of 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile?
3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile has a molecular weight of 167.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-trimethylsilylcyclobutane-1-carbonitrile is sourced from PubChem (CID 11816073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).