3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride

C7H16ClNO — CID 170914857

IUPAC3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride
SMILESCl.OCCC[C@@H]1CCNC1
InChIInChI=1S/C7H15NO.ClH/c9-5-1-2-7-3-4-8-6-7;/h7-9H,1-6H2;1H/t7-;/m1./s1
InChIKeyAILXNBQVBKXZHC-OGFXRTJISA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds3

About 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride

3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride (PubChem CID 170914857) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride
PubChem CID170914857
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride
SMILESCl.OCCC[C@@H]1CCNC1
InChIInChI=1S/C7H15NO.ClH/c9-5-1-2-7-3-4-8-6-7;/h7-9H,1-6H2;1H/t7-;/m1./s1
InChIKeyAILXNBQVBKXZHC-OGFXRTJISA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride?
The IUPAC name of 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride (CID 170914857) is 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride is Cl.OCCC[C@@H]1CCNC1.
What is the InChIKey of 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride?
The InChIKey is AILXNBQVBKXZHC-OGFXRTJISA-N. The full InChI is InChI=1S/C7H15NO.ClH/c9-5-1-2-7-3-4-8-6-7;/h7-9H,1-6H2;1H/t7-;/m1./s1.
What are the key properties of 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride?
3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-pyrrolidin-3-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170914857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).