2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol

C11H23NO — CID 102209311

IUPAC2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)CN1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C11H23NO/c1-9(2)8-12-7-5-6-10(12)11(3,4)13/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeySXTCVYOGAXRYOI-JTQLQIEISA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds3

About 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 102209311) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID102209311
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)CN1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C11H23NO/c1-9(2)8-12-7-5-6-10(12)11(3,4)13/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeySXTCVYOGAXRYOI-JTQLQIEISA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-(pyrrolidin-1-yl)heptan-2-ol
CID 216097
2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10012022
2-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10351807
2-(1-Methylpyrrolidin-2-YL)propan-2-OL
CID 15758090
3-Fluoro-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 129229274
1-Ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
CID 129229375
2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol
CID 155201050
(S)-2-(4,4-Difluoro-1-methylpyrrolidin-2-YL)propan-2-OL
CID 165405834
(3S)-1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 169651693
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
CID 170015918
1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol
CID 170366282
2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 174164358

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol (CID 102209311) is 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol is CC(C)CN1CCC[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is SXTCVYOGAXRYOI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)8-12-7-5-6-10(12)11(3,4)13/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 102209311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).