pyrrolidin-3-ylmethanol;hydrochloride

C5H12ClNO — CID 23080030

IUPACpyrrolidin-3-ylmethanol;hydrochloride
SMILESCl.OCC1CCNC1
InChIInChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H
InChIKeyRPSPXNVYBCMWAR-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.01
Rot. Bonds1

About pyrrolidin-3-ylmethanol;hydrochloride

pyrrolidin-3-ylmethanol;hydrochloride (PubChem CID 23080030) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is pyrrolidin-3-ylmethanol;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-ylmethanol;hydrochloride
PubChem CID23080030
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Namepyrrolidin-3-ylmethanol;hydrochloride
SMILESCl.OCC1CCNC1
InChIInChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H
InChIKeyRPSPXNVYBCMWAR-UHFFFAOYSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethanol;hydrochloride?
The IUPAC name of pyrrolidin-3-ylmethanol;hydrochloride (CID 23080030) is pyrrolidin-3-ylmethanol;hydrochloride.
What is the SMILES notation for pyrrolidin-3-ylmethanol;hydrochloride?
The canonical SMILES for pyrrolidin-3-ylmethanol;hydrochloride is Cl.OCC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylmethanol;hydrochloride?
The InChIKey is RPSPXNVYBCMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H.
What are the key properties of pyrrolidin-3-ylmethanol;hydrochloride?
pyrrolidin-3-ylmethanol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethanol;hydrochloride is sourced from PubChem (CID 23080030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).