1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine

C8H17I2NO — CID 159142598

IUPAC1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine
SMILESCC1(C)CCN(O)C1(C)C.II
InChIInChI=1S/C8H17NO.I2/c1-7(2)5-6-9(10)8(7,3)4;1-2/h10H,5-6H2,1-4H3;
InChIKeyYGKOWBHEKBZARY-UHFFFAOYSA-N
MW397.04 g/mol
LogP3.66
Rot. Bonds

About 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine

1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine (PubChem CID 159142598) has the molecular formula C8H17I2NO and a molecular weight of 397.04 g/mol. Its IUPAC name is 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine.

Molecular Properties

Compound Name1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine
PubChem CID159142598
Molecular FormulaC8H17I2NO
Molecular Weight397.04 g/mol
Exact Mass396.94
IUPAC Name1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine
SMILESCC1(C)CCN(O)C1(C)C.II
InChIInChI=1S/C8H17NO.I2/c1-7(2)5-6-9(10)8(7,3)4;1-2/h10H,5-6H2,1-4H3;
InChIKeyYGKOWBHEKBZARY-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.04
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2,2,4,4-tetramethylpiperidine
CID 66751522
1-hydroxy-4,4-dimethylpiperidine
CID 90735582
1,4,4,5,5,6,6-heptamethylazocane
CID 154547970
(2,2,3,3-tetramethylpiperidin-1-yl) carbamate
CID 139640627
2,2-difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol
CID 176951545
methane;1,3,3-trimethylpyrrolidine
CID 158632756
1-hydroxy-3,3-dimethylpyrrolidine
CID 119097491
1-hydroxy-2,2,5,5-tetramethylpyrrolidine;methanol
CID 173152418
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane
CID 22947959

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine?
The IUPAC name of 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine (CID 159142598) is 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine.
What is the SMILES notation for 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine?
The canonical SMILES for 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine is CC1(C)CCN(O)C1(C)C.II.
What is the InChIKey of 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine?
The InChIKey is YGKOWBHEKBZARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.I2/c1-7(2)5-6-9(10)8(7,3)4;1-2/h10H,5-6H2,1-4H3;.
What are the key properties of 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine?
1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine has a molecular weight of 397.04 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine is sourced from PubChem (CID 159142598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).