3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine

C12H14N2O3 — CID 104704037

IUPAC3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine
SMILESO=[N+]([O-])c1cccc(/C=C/C2COCCN2)c1
InChIInChI=1S/C12H14N2O3/c15-14(16)12-3-1-2-10(8-12)4-5-11-9-17-7-6-13-11/h1-5,8,11,13H,6-7,9H2/b5-4+
InChIKeyXHEZMWAKGVWXJD-SNAWJCMRSA-N
MW234.26 g/mol
LogP1.60
Rot. Bonds3

About 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine

3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine (PubChem CID 104704037) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine.

Molecular Properties

Compound Name3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine
PubChem CID104704037
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine
SMILESO=[N+]([O-])c1cccc(/C=C/C2COCCN2)c1
InChIInChI=1S/C12H14N2O3/c15-14(16)12-3-1-2-10(8-12)4-5-11-9-17-7-6-13-11/h1-5,8,11,13H,6-7,9H2/b5-4+
InChIKeyXHEZMWAKGVWXJD-SNAWJCMRSA-N
XLogP1.60
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine?
The IUPAC name of 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine (CID 104704037) is 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine.
What is the SMILES notation for 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine?
The canonical SMILES for 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine is O=[N+]([O-])c1cccc(/C=C/C2COCCN2)c1.
What is the InChIKey of 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine?
The InChIKey is XHEZMWAKGVWXJD-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-14(16)12-3-1-2-10(8-12)4-5-11-9-17-7-6-13-11/h1-5,8,11,13H,6-7,9H2/b5-4+.
What are the key properties of 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine?
3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine has a molecular weight of 234.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-nitrophenyl)ethenyl]morpholine is sourced from PubChem (CID 104704037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).