1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol

C11H23NO2 — CID 176951545

IUPAC1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol
SMILESCCN1CCC(C)(C)[C@]1(C)C(C)(O)O
InChIInChI=1S/C11H23NO2/c1-6-12-8-7-9(2,3)10(12,4)11(5,13)14/h13-14H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyVXWOHBPGPJPZAP-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.20
Rot. Bonds2

About 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol

1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol (PubChem CID 176951545) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol.

Molecular Properties

Compound Name1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol
PubChem CID176951545
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol
SMILESCCN1CCC(C)(C)[C@]1(C)C(C)(O)O
InChIInChI=1S/C11H23NO2/c1-6-12-8-7-9(2,3)10(12,4)11(5,13)14/h13-14H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyVXWOHBPGPJPZAP-SNVBAGLBSA-N
XLogP1.20
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2,2-difluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol;ethane
CID 176951133
1,2-diethyl-2,3,3-trimethylpiperidine
CID 70617472
1,2-diethyl-2,3-dimethylimidazolidine
CID 175230380
7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane
CID 166882224
(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane
CID 154953071
2-(1-methylcyclopropyl)propane-1,2-diol
CID 82710714
1,6-diethyl-1,6-diazaspiro[4.4]nonane
CID 89371000
1,2-diethyl-2-methylpyrrolidine;ethane
CID 170583646
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58364990
1-hydroxy-2,2,3,3-tetramethylpyrrolidine;molecular iodine
CID 159142598
ethane;1-ethyl-1,7-diazaspiro[3.5]nonane
CID 156709724
1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 169131307

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol?
The IUPAC name of 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol (CID 176951545) is 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol.
What is the SMILES notation for 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol?
The canonical SMILES for 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol is CCN1CCC(C)(C)[C@]1(C)C(C)(O)O.
What is the InChIKey of 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol?
The InChIKey is VXWOHBPGPJPZAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12-8-7-9(2,3)10(12,4)11(5,13)14/h13-14H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol?
1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol has a molecular weight of 201.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethyl-2,3,3-trimethylpyrrolidin-2-yl]ethane-1,1-diol is sourced from PubChem (CID 176951545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).