pyrrolidine;(3S)-pyrrolidin-3-ol

C8H18N2O — CID 67190741

IUPACpyrrolidine;(3S)-pyrrolidin-3-ol
SMILESC1CCNC1.O[C@H]1CCNC1
InChIInChI=1S/C4H9NO.C4H9N/c6-4-1-2-5-3-4;1-2-4-5-3-1/h4-6H,1-3H2;5H,1-4H2/t4-;/m0./s1
InChIKeyWOZXCVFTWWFHCV-WCCKRBBISA-N
MW158.24 g/mol
LogP-0.29
Rot. Bonds

About pyrrolidine;(3S)-pyrrolidin-3-ol

pyrrolidine;(3S)-pyrrolidin-3-ol (PubChem CID 67190741) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is pyrrolidine;(3S)-pyrrolidin-3-ol.

Molecular Properties

Compound Namepyrrolidine;(3S)-pyrrolidin-3-ol
PubChem CID67190741
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Namepyrrolidine;(3S)-pyrrolidin-3-ol
SMILESC1CCNC1.O[C@H]1CCNC1
InChIInChI=1S/C4H9NO.C4H9N/c6-4-1-2-5-3-4;1-2-4-5-3-1/h4-6H,1-3H2;5H,1-4H2/t4-;/m0./s1
InChIKeyWOZXCVFTWWFHCV-WCCKRBBISA-N
XLogP-0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-ol;yttrium
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pyrrolidin-3-ol;uranium
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ethane;piperidin-3-ol;pyrrolidine
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piperidin-3-ol;dihydrochloride
CID 67374500
1,5-diazocan-3-ol
CID 71359715
1,3-diazepan-5-ol
CID 91224621
1,7-diazacyclopentadecane-4,10,13-triol
CID 174313060
piperidin-3-ol;propane-2,2-diol
CID 142962358
carbamodithioic acid;(3R)-pyrrolidin-3-ol;sulfane
CID 173231160
oxalic acid;piperidin-3-ol
CID 162306197
but-2-enedioic acid;pyrrolidin-3-ol
CID 75080947
ethene;piperidin-4-ol
CID 143978607

Frequently Asked Questions

What is the IUPAC name of pyrrolidine;(3S)-pyrrolidin-3-ol?
The IUPAC name of pyrrolidine;(3S)-pyrrolidin-3-ol (CID 67190741) is pyrrolidine;(3S)-pyrrolidin-3-ol.
What is the SMILES notation for pyrrolidine;(3S)-pyrrolidin-3-ol?
The canonical SMILES for pyrrolidine;(3S)-pyrrolidin-3-ol is C1CCNC1.O[C@H]1CCNC1.
What is the InChIKey of pyrrolidine;(3S)-pyrrolidin-3-ol?
The InChIKey is WOZXCVFTWWFHCV-WCCKRBBISA-N. The full InChI is InChI=1S/C4H9NO.C4H9N/c6-4-1-2-5-3-4;1-2-4-5-3-1/h4-6H,1-3H2;5H,1-4H2/t4-;/m0./s1.
What are the key properties of pyrrolidine;(3S)-pyrrolidin-3-ol?
pyrrolidine;(3S)-pyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;(3S)-pyrrolidin-3-ol is sourced from PubChem (CID 67190741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).