2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride

C7H16ClNO — CID 66970742

IUPAC2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@H]1CCCN1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2,9)6-4-3-5-8-6;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyKQOPQWJUWQBPPM-FYZOBXCZSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds1

About 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride

2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride (PubChem CID 66970742) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride
PubChem CID66970742
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@H]1CCCN1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2,9)6-4-3-5-8-6;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyKQOPQWJUWQBPPM-FYZOBXCZSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride?
The IUPAC name of 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride (CID 66970742) is 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride is CC(C)(O)[C@H]1CCCN1.Cl.
What is the InChIKey of 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride?
The InChIKey is KQOPQWJUWQBPPM-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(2,9)6-4-3-5-8-6;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride?
2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pyrrolidin-2-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 66970742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).