ethane;(3S)-morpholine-3-carbaldehyde

C7H15NO2 — CID 153353332

IUPACethane;(3S)-morpholine-3-carbaldehyde
SMILESCC.O=C[C@@H]1COCCN1
InChIInChI=1S/C5H9NO2.C2H6/c7-3-5-4-8-2-1-6-5;1-2/h3,5-6H,1-2,4H2;1-2H3/t5-;/m1./s1
InChIKeyQFFZJBOJHROBIQ-NUBCRITNSA-N
MW145.20 g/mol
LogP0.20
Rot. Bonds1

About ethane;(3S)-morpholine-3-carbaldehyde

ethane;(3S)-morpholine-3-carbaldehyde (PubChem CID 153353332) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;(3S)-morpholine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;(3S)-morpholine-3-carbaldehyde
PubChem CID153353332
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;(3S)-morpholine-3-carbaldehyde
SMILESCC.O=C[C@@H]1COCCN1
InChIInChI=1S/C5H9NO2.C2H6/c7-3-5-4-8-2-1-6-5;1-2/h3,5-6H,1-2,4H2;1-2H3/t5-;/m1./s1
InChIKeyQFFZJBOJHROBIQ-NUBCRITNSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.20
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 ethane;(3S)-morpholine-3-carbaldehyde?
The IUPAC name of ethane;(3S)-morpholine-3-carbaldehyde (CID 153353332) is ethane;(3S)-morpholine-3-carbaldehyde.
What is the SMILES notation for ethane;(3S)-morpholine-3-carbaldehyde?
The canonical SMILES for ethane;(3S)-morpholine-3-carbaldehyde is CC.O=C[C@@H]1COCCN1.
What is the InChIKey of ethane;(3S)-morpholine-3-carbaldehyde?
The InChIKey is QFFZJBOJHROBIQ-NUBCRITNSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c7-3-5-4-8-2-1-6-5;1-2/h3,5-6H,1-2,4H2;1-2H3/t5-;/m1./s1.
What are the key properties of ethane;(3S)-morpholine-3-carbaldehyde?
ethane;(3S)-morpholine-3-carbaldehyde has a molecular weight of 145.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-morpholine-3-carbaldehyde is sourced from PubChem (CID 153353332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).