(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile

C₁₀H₁₇NOSi — CID 129410897

About (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile

(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile (PubChem CID 129410897) has the molecular formula C₁₀H₁₇NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile.

Molecular Properties

• Compound Name: (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
• PubChem CID: 129410897
• Molecular Formula: C₁₀H₁₇NOSi
• Molecular Weight: 195.34 g/mol
• Exact Mass: 195.11
• IUPAC Name: (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
• SMILES: CC1=C[C@@](C#N)(O[Si](C)(C)C)CC1
• InChI: InChI=1S/C10H17NOSi/c1-9-5-6-10(7-9,8-11)12-13(2,3)4/h7H,5-6H2,1-4H3/t10-/m0/s1
• InChIKey: HJXKQGJHWLQYSC-JTQLQIEISA-N
• XLogP: 2.84
• TPSA: 33.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.34
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?

The IUPAC name of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile (CID 129410897) is (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile.

What is the SMILES notation for (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?

The canonical SMILES for (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile is CC1=C[C@@](C#N)(O[Si](C)(C)C)CC1.

What is the InChIKey of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?

The InChIKey is HJXKQGJHWLQYSC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NOSi/c1-9-5-6-10(7-9,8-11)12-13(2,3)4/h7H,5-6H2,1-4H3/t10-/m0/s1.

What are the key properties of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?

(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile has a molecular weight of 195.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 129410897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129410897 — identifiers, structure, computed properties (public domain)

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