cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile

C16H23NOSi — CID 139605415

IUPACcis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile
SMILESCOc1ccc([C@@]2(C#N)C[C@@H]2CC[Si](C)(C)C)cc1
InChIInChI=1S/C16H23NOSi/c1-18-15-7-5-13(6-8-15)16(12-17)11-14(16)9-10-19(2,3)4/h5-8,14H,9-11H2,1-4H3/t14-,16-/m0/s1
InChIKeyGCCYCSHVKIWGST-HOCLYGCPSA-N
MW273.45 g/mol
LogP4.20
Rot. Bonds5

About cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile

cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile (PubChem CID 139605415) has the molecular formula C16H23NOSi and a molecular weight of 273.45 g/mol. Its IUPAC name is cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile
PubChem CID139605415
Molecular FormulaC16H23NOSi
Molecular Weight273.45 g/mol
Exact Mass273.15
IUPAC Namecis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile
SMILESCOc1ccc([C@@]2(C#N)C[C@@H]2CC[Si](C)(C)C)cc1
InChIInChI=1S/C16H23NOSi/c1-18-15-7-5-13(6-8-15)16(12-17)11-14(16)9-10-19(2,3)4/h5-8,14H,9-11H2,1-4H3/t14-,16-/m0/s1
InChIKeyGCCYCSHVKIWGST-HOCLYGCPSA-N
XLogP4.20
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.20
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 cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile (CID 139605415) is cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile is COc1ccc([C@@]2(C#N)C[C@@H]2CC[Si](C)(C)C)cc1.
What is the InChIKey of cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile?
The InChIKey is GCCYCSHVKIWGST-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H23NOSi/c1-18-15-7-5-13(6-8-15)16(12-17)11-14(16)9-10-19(2,3)4/h5-8,14H,9-11H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile?
cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile has a molecular weight of 273.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 139605415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).