morpholine-4-carbaldehyde;prop-1-ene

C8H15NO2 — CID 143931399

IUPACmorpholine-4-carbaldehyde;prop-1-ene
SMILESC=CC.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.C3H6/c7-5-6-1-3-8-4-2-6;1-3-2/h5H,1-4H2;3H,1H2,2H3
InChIKeyXDRJIVSWHBUTEN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.67
Rot. Bonds1

About morpholine-4-carbaldehyde;prop-1-ene

morpholine-4-carbaldehyde;prop-1-ene (PubChem CID 143931399) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is morpholine-4-carbaldehyde;prop-1-ene.

Molecular Properties

Compound Namemorpholine-4-carbaldehyde;prop-1-ene
PubChem CID143931399
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemorpholine-4-carbaldehyde;prop-1-ene
SMILESC=CC.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.C3H6/c7-5-6-1-3-8-4-2-6;1-3-2/h5H,1-4H2;3H,1H2,2H3
InChIKeyXDRJIVSWHBUTEN-UHFFFAOYSA-N
XLogP0.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbaldehyde;prop-1-ene?
The IUPAC name of morpholine-4-carbaldehyde;prop-1-ene (CID 143931399) is morpholine-4-carbaldehyde;prop-1-ene.
What is the SMILES notation for morpholine-4-carbaldehyde;prop-1-ene?
The canonical SMILES for morpholine-4-carbaldehyde;prop-1-ene is C=CC.O=CN1CCOCC1.
What is the InChIKey of morpholine-4-carbaldehyde;prop-1-ene?
The InChIKey is XDRJIVSWHBUTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C3H6/c7-5-6-1-3-8-4-2-6;1-3-2/h5H,1-4H2;3H,1H2,2H3.
What are the key properties of morpholine-4-carbaldehyde;prop-1-ene?
morpholine-4-carbaldehyde;prop-1-ene has a molecular weight of 157.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbaldehyde;prop-1-ene is sourced from PubChem (CID 143931399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).