1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine

C10H18N2OSe — CID 134860361

IUPAC1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(CN=C=[Se])C(C)(C)N1O
InChIInChI=1S/C10H18N2OSe/c1-9(2)5-8(6-11-7-14)10(3,4)12(9)13/h8,13H,5-6H2,1-4H3
InChIKeyBHEJOGWKAZUGKU-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.33
Rot. Bonds2

About 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine

1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine (PubChem CID 134860361) has the molecular formula C10H18N2OSe and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine.

Molecular Properties

Compound Name1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine
PubChem CID134860361
Molecular FormulaC10H18N2OSe
Molecular Weight261.23 g/mol
Exact Mass262.06
IUPAC Name1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(CN=C=[Se])C(C)(C)N1O
InChIInChI=1S/C10H18N2OSe/c1-9(2)5-8(6-11-7-14)10(3,4)12(9)13/h8,13H,5-6H2,1-4H3
InChIKeyBHEJOGWKAZUGKU-UHFFFAOYSA-N
XLogP1.33
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] ethene-1,1,2,2-tetracarboxylate
CID 138724239
[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane
CID 98005752
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 4-methylbenzenesulfonate
CID 89268299
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 173024529
2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide
CID 7017932
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
CID 91177291
4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 154315687
N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 54113282
(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate
CID 138724844

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine?
The IUPAC name of 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine (CID 134860361) is 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine.
What is the SMILES notation for 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine?
The canonical SMILES for 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine is CC1(C)CC(CN=C=[Se])C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine?
The InChIKey is BHEJOGWKAZUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OSe/c1-9(2)5-8(6-11-7-14)10(3,4)12(9)13/h8,13H,5-6H2,1-4H3.
What are the key properties of 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine?
1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine has a molecular weight of 261.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine is sourced from PubChem (CID 134860361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).