1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile

C10H19NSi — CID 130513551

IUPAC1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
SMILESC[Si](C)(C)CC1(C#N)CCCC1
InChIInChI=1S/C10H19NSi/c1-12(2,3)9-10(8-11)6-4-5-7-10/h4-7,9H2,1-3H3
InChIKeyXSYIQFOIAUPKCC-UHFFFAOYSA-N
MW181.35 g/mol
LogP3.41
Rot. Bonds2

About 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile

1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile (PubChem CID 130513551) has the molecular formula C10H19NSi and a molecular weight of 181.35 g/mol. Its IUPAC name is 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
PubChem CID130513551
Molecular FormulaC10H19NSi
Molecular Weight181.35 g/mol
Exact Mass181.13
IUPAC Name1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
SMILESC[Si](C)(C)CC1(C#N)CCCC1
InChIInChI=1S/C10H19NSi/c1-12(2,3)9-10(8-11)6-4-5-7-10/h4-7,9H2,1-3H3
InChIKeyXSYIQFOIAUPKCC-UHFFFAOYSA-N
XLogP3.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile (CID 130513551) is 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile is C[Si](C)(C)CC1(C#N)CCCC1.
What is the InChIKey of 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is XSYIQFOIAUPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NSi/c1-12(2,3)9-10(8-11)6-4-5-7-10/h4-7,9H2,1-3H3.
What are the key properties of 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile?
1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 181.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130513551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).