3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride

C5H12ClNO2 — CID 86277019

IUPAC3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OCC1(O)CCNC1
InChIInChI=1S/C5H11NO2.ClH/c7-4-5(8)1-2-6-3-5;/h6-8H,1-4H2;1H
InChIKeyYKEQDRZCHITDDD-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.88
Rot. Bonds1

About 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride

3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 86277019) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID86277019
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OCC1(O)CCNC1
InChIInChI=1S/C5H11NO2.ClH/c7-4-5(8)1-2-6-3-5;/h6-8H,1-4H2;1H
InChIKeyYKEQDRZCHITDDD-UHFFFAOYSA-N
XLogP-0.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride (CID 86277019) is 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride is Cl.OCC1(O)CCNC1.
What is the InChIKey of 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is YKEQDRZCHITDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c7-4-5(8)1-2-6-3-5;/h6-8H,1-4H2;1H.
What are the key properties of 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 86277019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).