2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol

C11H23NO — CID 177116525

IUPAC2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-7-6-9(8-12)11(4,5)13/h9,13H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyGDSSUCCDGRINOF-SECBINFHSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds1

About 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol

2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol (PubChem CID 177116525) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
PubChem CID177116525
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-7-6-9(8-12)11(4,5)13/h9,13H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyGDSSUCCDGRINOF-SECBINFHSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol (CID 177116525) is 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol is CC(C)(O)[C@@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol?
The InChIKey is GDSSUCCDGRINOF-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)12-7-6-9(8-12)11(4,5)13/h9,13H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol?
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 177116525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).