prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate

C27H35NO3Si — CID 58638037

IUPACprop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate
SMILESC=CCOC(=O)N1CC(c2ccccc2)=CC1(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H35NO3Si/c1-7-18-30-25(29)28-20-23(22-14-10-8-11-15-22)19-27(28,24-16-12-9-13-17-24)21-31-32(5,6)26(2,3)4/h7-17,19H,1,18,20-21H2,2-6H3
InChIKeyXPUZPFRZNXMTKR-UHFFFAOYSA-N
MW449.67 g/mol
LogP6.63
Rot. Bonds7

About prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate

prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate (PubChem CID 58638037) has the molecular formula C27H35NO3Si and a molecular weight of 449.67 g/mol. Its IUPAC name is prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate
PubChem CID58638037
Molecular FormulaC27H35NO3Si
Molecular Weight449.67 g/mol
Exact Mass449.24
IUPAC Nameprop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate
SMILESC=CCOC(=O)N1CC(c2ccccc2)=CC1(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H35NO3Si/c1-7-18-30-25(29)28-20-23(22-14-10-8-11-15-22)19-27(28,24-16-12-9-13-17-24)21-31-32(5,6)26(2,3)4/h7-17,19H,1,18,20-21H2,2-6H3
InChIKeyXPUZPFRZNXMTKR-UHFFFAOYSA-N
XLogP6.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.67
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate 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

(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 134951393
Benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate
CID 68627613
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)piperidine-1-carboxylate
CID 11236115
2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl chloride
CID 58638051
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride
CID 59854968
trans (+/-) Benzyl benzyl[1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-3-fluoropiperidin-4-yl]carbamate
CID 60200121
Tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-fluorophenyl]methyl]carbamic acid
CID 67005586
Tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid
CID 67006202
(4S)-3-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)hex-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67977431
(4S)-3-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)hex-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67977484
(4S)-3-[(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67991555
(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67991559

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate?
The IUPAC name of prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate (CID 58638037) is prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate.
What is the SMILES notation for prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate?
The canonical SMILES for prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate is C=CCOC(=O)N1CC(c2ccccc2)=CC1(CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate?
The InChIKey is XPUZPFRZNXMTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO3Si/c1-7-18-30-25(29)28-20-23(22-14-10-8-11-15-22)19-27(28,24-16-12-9-13-17-24)21-31-32(5,6)26(2,3)4/h7-17,19H,1,18,20-21H2,2-6H3.
What are the key properties of prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate?
prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate has a molecular weight of 449.67 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-diphenyl-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 58638037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).