4-(4-ethenyl-3-nitrophenyl)morpholine

C12H14N2O3 — CID 141147402

IUPAC4-(4-ethenyl-3-nitrophenyl)morpholine
SMILESC=Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O3/c1-2-10-3-4-11(9-12(10)14(15)16)13-5-7-17-8-6-13/h2-4,9H,1,5-8H2
InChIKeyRESRTNRYYGELND-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.07
Rot. Bonds3

About 4-(4-ethenyl-3-nitrophenyl)morpholine

4-(4-ethenyl-3-nitrophenyl)morpholine (PubChem CID 141147402) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(4-ethenyl-3-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(4-ethenyl-3-nitrophenyl)morpholine
PubChem CID141147402
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(4-ethenyl-3-nitrophenyl)morpholine
SMILESC=Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O3/c1-2-10-3-4-11(9-12(10)14(15)16)13-5-7-17-8-6-13/h2-4,9H,1,5-8H2
InChIKeyRESRTNRYYGELND-UHFFFAOYSA-N
XLogP2.07
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 4-(4-ethenyl-3-nitrophenyl)morpholine?
The IUPAC name of 4-(4-ethenyl-3-nitrophenyl)morpholine (CID 141147402) is 4-(4-ethenyl-3-nitrophenyl)morpholine.
What is the SMILES notation for 4-(4-ethenyl-3-nitrophenyl)morpholine?
The canonical SMILES for 4-(4-ethenyl-3-nitrophenyl)morpholine is C=Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-ethenyl-3-nitrophenyl)morpholine?
The InChIKey is RESRTNRYYGELND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-10-3-4-11(9-12(10)14(15)16)13-5-7-17-8-6-13/h2-4,9H,1,5-8H2.
What are the key properties of 4-(4-ethenyl-3-nitrophenyl)morpholine?
4-(4-ethenyl-3-nitrophenyl)morpholine has a molecular weight of 234.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-3-nitrophenyl)morpholine is sourced from PubChem (CID 141147402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).