(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

C14H19NOSi — CID 11311149

IUPAC(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)O[C@]1(C#N)CCCc2ccccc21
InChIInChI=1S/C14H19NOSi/c1-17(2,3)16-14(11-15)10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,6,8,10H2,1-3H3/t14-/m0/s1
InChIKeyAMMBOYWMOPYMGK-AWEZNQCLSA-N
MW245.40 g/mol
LogP3.59
Rot. Bonds2

About (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile

(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 11311149) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID11311149
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC[Si](C)(C)O[C@]1(C#N)CCCc2ccccc21
InChIInChI=1S/C14H19NOSi/c1-17(2,3)16-14(11-15)10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,6,8,10H2,1-3H3/t14-/m0/s1
InChIKeyAMMBOYWMOPYMGK-AWEZNQCLSA-N
XLogP3.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 53.59
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

5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile
CID 140695751
trimethyl-[[(7S)-7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 99863917
trimethyl-[[7-(2-phenylethynyl)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy]silane
CID 2752689
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173
1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43802963
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
(2R)-5-methoxy-2-trimethylsilyloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 124642220
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812
5-ethenyl-5-hydroxy-6-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
CID 11085522
4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
CID 79115229

Frequently Asked Questions

What is the IUPAC name of (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 11311149) is (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is C[Si](C)(C)O[C@]1(C#N)CCCc2ccccc21.
What is the InChIKey of (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is AMMBOYWMOPYMGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-17(2,3)16-14(11-15)10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,6,8,10H2,1-3H3/t14-/m0/s1.
What are the key properties of (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 245.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 11311149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).