(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile

C13H18N2O3Si — CID 101099109

IUPAC(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
SMILESC[Si](C)(C)O[C@](C#N)(CC[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H18N2O3Si/c1-19(2,3)18-13(11-14,9-10-15(16)17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3/t13-/m0/s1
InChIKeyRLGCEUOQBDPQTE-ZDUSSCGKSA-N
MW278.38 g/mol
LogP2.92
Rot. Bonds6

About (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile

(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile (PubChem CID 101099109) has the molecular formula C13H18N2O3Si and a molecular weight of 278.38 g/mol. Its IUPAC name is (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
PubChem CID101099109
Molecular FormulaC13H18N2O3Si
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
SMILESC[Si](C)(C)O[C@](C#N)(CC[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H18N2O3Si/c1-19(2,3)18-13(11-14,9-10-15(16)17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3/t13-/m0/s1
InChIKeyRLGCEUOQBDPQTE-ZDUSSCGKSA-N
XLogP2.92
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methoxy-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 125466010
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 125466185
3-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 11208204
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
CID 45379026
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
(2R)-1-nitro-2-phenylpropan-2-ol
CID 101414779
trimethyl(trityloxy)silane
CID 11067560
(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
CID 12024907
(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 99770712
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766

Frequently Asked Questions

What is the IUPAC name of (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile?
The IUPAC name of (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile (CID 101099109) is (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile is C[Si](C)(C)O[C@](C#N)(CC[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile?
The InChIKey is RLGCEUOQBDPQTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O3Si/c1-19(2,3)18-13(11-14,9-10-15(16)17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile?
(2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile has a molecular weight of 278.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-nitro-2-phenyl-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 101099109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).