1-pyrrolidin-2-ylpropan-1-ol;hydrochloride

C7H16ClNO — CID 172641162

IUPAC1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
SMILESCCC(O)C1CCCN1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-2-7(9)6-4-3-5-8-6;/h6-9H,2-5H2,1H3;1H
InChIKeyWDEYRGQFFVJHNG-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds2

About 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride

1-pyrrolidin-2-ylpropan-1-ol;hydrochloride (PubChem CID 172641162) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
PubChem CID172641162
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
SMILESCCC(O)C1CCCN1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-2-7(9)6-4-3-5-8-6;/h6-9H,2-5H2,1H3;1H
InChIKeyWDEYRGQFFVJHNG-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
(1S)-2-amino-1-pyrrolidin-2-ylethanol
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1-pyrrolidin-2-ylbut-3-en-1-ol
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2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 142507527
(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
CID 138485429
(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
CID 167554400
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride (CID 172641162) is 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride is CCC(O)C1CCCN1.Cl.
What is the InChIKey of 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride?
The InChIKey is WDEYRGQFFVJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-2-7(9)6-4-3-5-8-6;/h6-9H,2-5H2,1H3;1H.
What are the key properties of 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride?
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 172641162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).