prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate

C19H33N3O3Si — CID 57255856

IUPACprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1Cc1ccnn1C
InChIInChI=1S/C19H33N3O3Si/c1-8-11-24-18(23)22-14-17(25-26(6,7)19(2,3)4)13-16(22)12-15-9-10-20-21(15)5/h8-10,16-17H,1,11-14H2,2-7H3
InChIKeyPTTYWEMIPPNEIG-UHFFFAOYSA-N
MW379.58 g/mol
LogP3.75
Rot. Bonds6

About prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 57255856) has the molecular formula C19H33N3O3Si and a molecular weight of 379.58 g/mol. Its IUPAC name is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID57255856
Molecular FormulaC19H33N3O3Si
Molecular Weight379.58 g/mol
Exact Mass379.23
IUPAC Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1Cc1ccnn1C
InChIInChI=1S/C19H33N3O3Si/c1-8-11-24-18(23)22-14-17(25-26(6,7)19(2,3)4)13-16(22)12-15-9-10-20-21(15)5/h8-10,16-17H,1,11-14H2,2-7H3
InChIKeyPTTYWEMIPPNEIG-UHFFFAOYSA-N
XLogP3.75
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-3-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate
CID 53635593
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[4-(hydroxymethyl)-1-methylpyrazol-5-yl]methyl]pyrrolidine-1-carboxylate
CID 53659726
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-(1H-pyrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
CID 54277593
prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate
CID 54299173
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
CID 54424164
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 57077629
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(methyldisulfanyl)carbonyloxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 57264713
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 67705622
prop-2-enyl (2R,4R)-4-hydroxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 67705703
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate
CID 67752035
Prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate
CID 67752036
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 67752185

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate (CID 57255856) is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1Cc1ccnn1C.
What is the InChIKey of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is PTTYWEMIPPNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3Si/c1-8-11-24-18(23)22-14-17(25-26(6,7)19(2,3)4)13-16(22)12-15-9-10-20-21(15)5/h8-10,16-17H,1,11-14H2,2-7H3.
What are the key properties of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 379.58 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57255856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).