morpholine-3-carbaldehyde;dihydrochloride

C5H11Cl2NO2 — CID 174331756

IUPACmorpholine-3-carbaldehyde;dihydrochloride
SMILESCl.Cl.O=CC1COCCN1
InChIInChI=1S/C5H9NO2.2ClH/c7-3-5-4-8-2-1-6-5;;/h3,5-6H,1-2,4H2;2*1H
InChIKeyOUEWGAXJZURTIK-UHFFFAOYSA-N
MW188.05 g/mol
LogP0.02
Rot. Bonds1

About morpholine-3-carbaldehyde;dihydrochloride

morpholine-3-carbaldehyde;dihydrochloride (PubChem CID 174331756) has the molecular formula C5H11Cl2NO2 and a molecular weight of 188.05 g/mol. Its IUPAC name is morpholine-3-carbaldehyde;dihydrochloride.

Molecular Properties

Compound Namemorpholine-3-carbaldehyde;dihydrochloride
PubChem CID174331756
Molecular FormulaC5H11Cl2NO2
Molecular Weight188.05 g/mol
Exact Mass187.02
IUPAC Namemorpholine-3-carbaldehyde;dihydrochloride
SMILESCl.Cl.O=CC1COCCN1
InChIInChI=1S/C5H9NO2.2ClH/c7-3-5-4-8-2-1-6-5;;/h3,5-6H,1-2,4H2;2*1H
InChIKeyOUEWGAXJZURTIK-UHFFFAOYSA-N
XLogP0.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholine-3-carbaldehyde;dihydrochloride?
The IUPAC name of morpholine-3-carbaldehyde;dihydrochloride (CID 174331756) is morpholine-3-carbaldehyde;dihydrochloride.
What is the SMILES notation for morpholine-3-carbaldehyde;dihydrochloride?
The canonical SMILES for morpholine-3-carbaldehyde;dihydrochloride is Cl.Cl.O=CC1COCCN1.
What is the InChIKey of morpholine-3-carbaldehyde;dihydrochloride?
The InChIKey is OUEWGAXJZURTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.2ClH/c7-3-5-4-8-2-1-6-5;;/h3,5-6H,1-2,4H2;2*1H.
What are the key properties of morpholine-3-carbaldehyde;dihydrochloride?
morpholine-3-carbaldehyde;dihydrochloride has a molecular weight of 188.05 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-3-carbaldehyde;dihydrochloride is sourced from PubChem (CID 174331756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).