[(2S)-pyrrolidin-2-yl]methanol

C5H11NO — CID 640091

IUPAC[(2S)-pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1
InChIInChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyHVVNJUAVDAZWCB-YFKPBYRVSA-N
MW101.15 g/mol
LogP-0.27
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]methanol

[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 640091) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methanol
PubChem CID640091
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name[(2S)-pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1
InChIInChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyHVVNJUAVDAZWCB-YFKPBYRVSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methanol (CID 640091) is [(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is HVVNJUAVDAZWCB-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methanol?
[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 101.15 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 640091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).