[(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate

C12H13FN2O3 — CID 11521662

IUPAC[(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate
SMILESO=C(O/N=C/c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H13FN2O3/c13-11-3-1-10(2-4-11)9-14-18-12(16)15-5-7-17-8-6-15/h1-4,9H,5-8H2/b14-9+
InChIKeyYSRIMHIUIIHZRX-NTEUORMPSA-N
MW252.25 g/mol
LogP1.63
Rot. Bonds2

About [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate

[(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate (PubChem CID 11521662) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate
PubChem CID11521662
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name[(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate
SMILESO=C(O/N=C/c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H13FN2O3/c13-11-3-1-10(2-4-11)9-14-18-12(16)15-5-7-17-8-6-15/h1-4,9H,5-8H2/b14-9+
InChIKeyYSRIMHIUIIHZRX-NTEUORMPSA-N
XLogP1.63
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate?
The IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate (CID 11521662) is [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate.
What is the SMILES notation for [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate?
The canonical SMILES for [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate is O=C(O/N=C/c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate?
The InChIKey is YSRIMHIUIIHZRX-NTEUORMPSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-11-3-1-10(2-4-11)9-14-18-12(16)15-5-7-17-8-6-15/h1-4,9H,5-8H2/b14-9+.
What are the key properties of [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate?
[(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate has a molecular weight of 252.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-fluorophenyl)methylideneamino] morpholine-4-carboxylate is sourced from PubChem (CID 11521662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).