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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Related Compounds

cis-(1R,2S)-2-hexyl-1-[4-(4-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 15733998
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 82983638
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
CID 58155388
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 18596975
2-ethyl-1-(4-methoxyphenyl)cyclopropan-1-ol
CID 79332791
1-(4-methoxyphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059491
trans-(1S,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile
CID 118549121
3-(4-methoxyphenyl)oxane-3-carbonitrile
CID 142504213
[(1R)-2-(4-methoxyphenyl)-2-propan-2-ylcyclopropyl]methanamine
CID 105474852

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).