(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile

C21H24N2OSi — CID 139910624

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile
SMILESCC(C)(C)[Si](O[C@H]1CCN=C1C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2OSi/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-20-14-15-23-19(20)16-22/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1
InChIKeyZMIZQIRMDGLQFF-FQEVSTJZSA-N
MW348.52 g/mol
LogP3.30
Rot. Bonds4

About (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile (PubChem CID 139910624) has the molecular formula C21H24N2OSi and a molecular weight of 348.52 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile
PubChem CID139910624
Molecular FormulaC21H24N2OSi
Molecular Weight348.52 g/mol
Exact Mass348.17
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile
SMILESCC(C)(C)[Si](O[C@H]1CCN=C1C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2OSi/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-20-14-15-23-19(20)16-22/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1
InChIKeyZMIZQIRMDGLQFF-FQEVSTJZSA-N
XLogP3.30
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile 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

tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
3-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-3-oxopropanenitrile
CID 171719158
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile (CID 139910624) is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile is CC(C)(C)[Si](O[C@H]1CCN=C1C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile?
The InChIKey is ZMIZQIRMDGLQFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2OSi/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-20-14-15-23-19(20)16-22/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile?
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile has a molecular weight of 348.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyrrole-5-carbonitrile is sourced from PubChem (CID 139910624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).