4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine

C12H14N2O3 — CID 2193205

IUPAC4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine
SMILESO=[N+]([O-])/C=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-14(16)6-5-11-1-3-12(4-2-11)13-7-9-17-10-8-13/h1-6H,7-10H2/b6-5-
InChIKeyZITKWBFZKRKXQY-WAYWQWQTSA-N
MW234.26 g/mol
LogP1.77
Rot. Bonds3

About 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine

4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine (PubChem CID 2193205) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine
PubChem CID2193205
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine
SMILESO=[N+]([O-])/C=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-14(16)6-5-11-1-3-12(4-2-11)13-7-9-17-10-8-13/h1-6H,7-10H2/b6-5-
InChIKeyZITKWBFZKRKXQY-WAYWQWQTSA-N
XLogP1.77
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.77
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-[(Z)-2-nitroethenyl]phenyl]morpholine?
The IUPAC name of 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine (CID 2193205) is 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine is O=[N+]([O-])/C=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine?
The InChIKey is ZITKWBFZKRKXQY-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-14(16)6-5-11-1-3-12(4-2-11)13-7-9-17-10-8-13/h1-6H,7-10H2/b6-5-.
What are the key properties of 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine?
4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine has a molecular weight of 234.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine is sourced from PubChem (CID 2193205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).