3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide

C19H33N3O2Si — CID 176705835

IUPAC3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide
SMILESCC(C)(C)[Si](C)(C)OCCC1CCN(c2cccc(C(=O)NN)c2)C1
InChIInChI=1S/C19H33N3O2Si/c1-19(2,3)25(4,5)24-12-10-15-9-11-22(14-15)17-8-6-7-16(13-17)18(23)21-20/h6-8,13,15H,9-12,14,20H2,1-5H3,(H,21,23)
InChIKeyJCBVDARNZDFGAP-UHFFFAOYSA-N
MW363.58 g/mol
LogP3.53
Rot. Bonds6

About 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide

3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide (PubChem CID 176705835) has the molecular formula C19H33N3O2Si and a molecular weight of 363.58 g/mol. Its IUPAC name is 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide.

Molecular Properties

Compound Name3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide
PubChem CID176705835
Molecular FormulaC19H33N3O2Si
Molecular Weight363.58 g/mol
Exact Mass363.23
IUPAC Name3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide
SMILESCC(C)(C)[Si](C)(C)OCCC1CCN(c2cccc(C(=O)NN)c2)C1
InChIInChI=1S/C19H33N3O2Si/c1-19(2,3)25(4,5)24-12-10-15-9-11-22(14-15)17-8-6-7-16(13-17)18(23)21-20/h6-8,13,15H,9-12,14,20H2,1-5H3,(H,21,23)
InChIKeyJCBVDARNZDFGAP-UHFFFAOYSA-N
XLogP3.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]phenyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 176705819
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane
CID 175959307

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide?
The IUPAC name of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide (CID 176705835) is 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide.
What is the SMILES notation for 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide?
The canonical SMILES for 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide is CC(C)(C)[Si](C)(C)OCCC1CCN(c2cccc(C(=O)NN)c2)C1.
What is the InChIKey of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide?
The InChIKey is JCBVDARNZDFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2Si/c1-19(2,3)25(4,5)24-12-10-15-9-11-22(14-15)17-8-6-7-16(13-17)18(23)21-20/h6-8,13,15H,9-12,14,20H2,1-5H3,(H,21,23).
What are the key properties of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide?
3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide has a molecular weight of 363.58 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-1-yl]benzohydrazide is sourced from PubChem (CID 176705835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).