4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride

C11H14ClNO3 — CID 171192988

IUPAC4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc([C@@]2(O)COCCN2)cc1
InChIInChI=1S/C11H13NO3.ClH/c13-7-9-1-3-10(4-2-9)11(14)8-15-6-5-12-11;/h1-4,7,12,14H,5-6,8H2;1H/t11-;/m0./s1
InChIKeyPDLUMOFWPBZWST-MERQFXBCSA-N
MW243.69 g/mol
LogP0.69
Rot. Bonds2

About 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride

4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride (PubChem CID 171192988) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride
PubChem CID171192988
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc([C@@]2(O)COCCN2)cc1
InChIInChI=1S/C11H13NO3.ClH/c13-7-9-1-3-10(4-2-9)11(14)8-15-6-5-12-11;/h1-4,7,12,14H,5-6,8H2;1H/t11-;/m0./s1
InChIKeyPDLUMOFWPBZWST-MERQFXBCSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride?
The IUPAC name of 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride (CID 171192988) is 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride.
What is the SMILES notation for 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride?
The canonical SMILES for 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride is Cl.O=Cc1ccc([C@@]2(O)COCCN2)cc1.
What is the InChIKey of 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride?
The InChIKey is PDLUMOFWPBZWST-MERQFXBCSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c13-7-9-1-3-10(4-2-9)11(14)8-15-6-5-12-11;/h1-4,7,12,14H,5-6,8H2;1H/t11-;/m0./s1.
What are the key properties of 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride?
4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxymorpholin-3-yl]benzaldehyde;hydrochloride is sourced from PubChem (CID 171192988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).