(3S)-pyrrolidin-3-ol

C4H9NO — CID 2733874

IUPAC(3S)-pyrrolidin-3-ol
SMILESO[C@H]1CCNC1
InChIInChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1
InChIKeyJHHZLHWJQPUNKB-BYPYZUCNSA-N
MW87.12 g/mol
LogP-0.66
Rot. Bonds

About (3S)-pyrrolidin-3-ol

(3S)-pyrrolidin-3-ol (PubChem CID 2733874) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (3S)-pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-pyrrolidin-3-ol
PubChem CID2733874
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(3S)-pyrrolidin-3-ol
SMILESO[C@H]1CCNC1
InChIInChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1
InChIKeyJHHZLHWJQPUNKB-BYPYZUCNSA-N
XLogP-0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-pyrrolidin-3-ol?
The IUPAC name of (3S)-pyrrolidin-3-ol (CID 2733874) is (3S)-pyrrolidin-3-ol.
What is the SMILES notation for (3S)-pyrrolidin-3-ol?
The canonical SMILES for (3S)-pyrrolidin-3-ol is O[C@H]1CCNC1.
What is the InChIKey of (3S)-pyrrolidin-3-ol?
The InChIKey is JHHZLHWJQPUNKB-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-pyrrolidin-3-ol?
(3S)-pyrrolidin-3-ol has a molecular weight of 87.12 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-pyrrolidin-3-ol is sourced from PubChem (CID 2733874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).