[(3S)-morpholin-3-yl]methanol;hydrochloride

C5H12ClNO2 — CID 44828781

IUPAC[(3S)-morpholin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1COCCN1
InChIInChI=1S/C5H11NO2.ClH/c7-3-5-4-8-2-1-6-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChIKeyWFLUDHYXVXRFLY-JEDNCBNOSA-N
MW153.61 g/mol
LogP-0.61
Rot. Bonds1

About [(3S)-morpholin-3-yl]methanol;hydrochloride

[(3S)-morpholin-3-yl]methanol;hydrochloride (PubChem CID 44828781) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is [(3S)-morpholin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S)-morpholin-3-yl]methanol;hydrochloride
PubChem CID44828781
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name[(3S)-morpholin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1COCCN1
InChIInChI=1S/C5H11NO2.ClH/c7-3-5-4-8-2-1-6-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChIKeyWFLUDHYXVXRFLY-JEDNCBNOSA-N
XLogP-0.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-morpholin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S)-morpholin-3-yl]methanol;hydrochloride (CID 44828781) is [(3S)-morpholin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S)-morpholin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S)-morpholin-3-yl]methanol;hydrochloride is Cl.OC[C@H]1COCCN1.
What is the InChIKey of [(3S)-morpholin-3-yl]methanol;hydrochloride?
The InChIKey is WFLUDHYXVXRFLY-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c7-3-5-4-8-2-1-6-5;/h5-7H,1-4H2;1H/t5-;/m0./s1.
What are the key properties of [(3S)-morpholin-3-yl]methanol;hydrochloride?
[(3S)-morpholin-3-yl]methanol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-morpholin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 44828781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).