[(Z)-prop-1-enyl] morpholine-4-carboxylate

C8H13NO3 — CID 12592142

IUPAC[(Z)-prop-1-enyl] morpholine-4-carboxylate
SMILESC/C=C\OC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO3/c1-2-5-12-8(10)9-3-6-11-7-4-9/h2,5H,3-4,6-7H2,1H3/b5-2-
InChIKeyAOHNMFMRBPUAPD-DJWKRKHSSA-N
MW171.20 g/mol
LogP0.99
Rot. Bonds1

About [(Z)-prop-1-enyl] morpholine-4-carboxylate

[(Z)-prop-1-enyl] morpholine-4-carboxylate (PubChem CID 12592142) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] morpholine-4-carboxylate
PubChem CID12592142
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name[(Z)-prop-1-enyl] morpholine-4-carboxylate
SMILESC/C=C\OC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO3/c1-2-5-12-8(10)9-3-6-11-7-4-9/h2,5H,3-4,6-7H2,1H3/b5-2-
InChIKeyAOHNMFMRBPUAPD-DJWKRKHSSA-N
XLogP0.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-prop-1-enyl] morpholine-4-carboxylate?
The IUPAC name of [(Z)-prop-1-enyl] morpholine-4-carboxylate (CID 12592142) is [(Z)-prop-1-enyl] morpholine-4-carboxylate.
What is the SMILES notation for [(Z)-prop-1-enyl] morpholine-4-carboxylate?
The canonical SMILES for [(Z)-prop-1-enyl] morpholine-4-carboxylate is C/C=C\OC(=O)N1CCOCC1.
What is the InChIKey of [(Z)-prop-1-enyl] morpholine-4-carboxylate?
The InChIKey is AOHNMFMRBPUAPD-DJWKRKHSSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-5-12-8(10)9-3-6-11-7-4-9/h2,5H,3-4,6-7H2,1H3/b5-2-.
What are the key properties of [(Z)-prop-1-enyl] morpholine-4-carboxylate?
[(Z)-prop-1-enyl] morpholine-4-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl] morpholine-4-carboxylate is sourced from PubChem (CID 12592142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).