pyrrolidin-3-ylmethanol

C5H11NO — CID 13400657

IUPACpyrrolidin-3-ylmethanol
SMILESOCC1CCNC1
InChIInChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
InChIKeyQOTUIIJRVXKSJU-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.41
Rot. Bonds1

About pyrrolidin-3-ylmethanol

pyrrolidin-3-ylmethanol (PubChem CID 13400657) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Namepyrrolidin-3-ylmethanol
PubChem CID13400657
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Namepyrrolidin-3-ylmethanol
SMILESOCC1CCNC1
InChIInChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
InChIKeyQOTUIIJRVXKSJU-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethanol?
The IUPAC name of pyrrolidin-3-ylmethanol (CID 13400657) is pyrrolidin-3-ylmethanol.
What is the SMILES notation for pyrrolidin-3-ylmethanol?
The canonical SMILES for pyrrolidin-3-ylmethanol is OCC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylmethanol?
The InChIKey is QOTUIIJRVXKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2.
What are the key properties of pyrrolidin-3-ylmethanol?
pyrrolidin-3-ylmethanol has a molecular weight of 101.15 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethanol is sourced from PubChem (CID 13400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).