4-(4-nitrophenyl)morpholine

C10H12N2O3 — CID 25222

IUPAC4-(4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKeyIAJDSUYFELYZCS-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.43
Rot. Bonds2

About 4-(4-nitrophenyl)morpholine

4-(4-nitrophenyl)morpholine (PubChem CID 25222) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(4-nitrophenyl)morpholine
PubChem CID25222
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-(4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKeyIAJDSUYFELYZCS-UHFFFAOYSA-N
XLogP1.43
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Phenylmorpholine
CID 62339
N,N-Dimethyl-4-nitroaniline
CID 7491
Disperse red 1
CID 17886
Piperidine, 1-(4-nitrophenyl)-
CID 81049
Benzenamine, 4-(4-morpholinyl)-
CID 75655
N,N-Diethyl-4-nitrobenzenamine
CID 75185
1-(4-Nitrophenyl)pyrrolidine
CID 352305
2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
Mls001183678
CID 4011831
4-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472
Benzenediazonium, 4-(4-morpholinyl)-, chloride, compd. with zinc chloride (ZnCl2) (1:1:?)
CID 87100
4-(2-Nitrophenyl)morpholine
CID 96365

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)morpholine?
The IUPAC name of 4-(4-nitrophenyl)morpholine (CID 25222) is 4-(4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(4-nitrophenyl)morpholine?
The canonical SMILES for 4-(4-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)morpholine?
The InChIKey is IAJDSUYFELYZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-(4-nitrophenyl)morpholine?
4-(4-nitrophenyl)morpholine has a molecular weight of 208.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)morpholine is sourced from PubChem (CID 25222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).