4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride

C18H19ClN2O2 — CID 54603340

IUPAC4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride
SMILESCl.O=N/C(=C(\c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O2.ClH/c21-19-17(15-7-3-1-4-8-15)18(16-9-5-2-6-10-16)20-11-13-22-14-12-20;/h1-10H,11-14H2;1H/b18-17+;
InChIKeyWDMWZOJVWNAOFN-ZAGWXBKKSA-N
MW330.81 g/mol
LogP4.03
Rot. Bonds4

About 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride

4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride (PubChem CID 54603340) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride
PubChem CID54603340
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride
SMILESCl.O=N/C(=C(\c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O2.ClH/c21-19-17(15-7-3-1-4-8-15)18(16-9-5-2-6-10-16)20-11-13-22-14-12-20;/h1-10H,11-14H2;1H/b18-17+;
InChIKeyWDMWZOJVWNAOFN-ZAGWXBKKSA-N
XLogP4.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride?
The IUPAC name of 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride (CID 54603340) is 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride is Cl.O=N/C(=C(\c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride?
The InChIKey is WDMWZOJVWNAOFN-ZAGWXBKKSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c21-19-17(15-7-3-1-4-8-15)18(16-9-5-2-6-10-16)20-11-13-22-14-12-20;/h1-10H,11-14H2;1H/b18-17+;.
What are the key properties of 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride?
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride is sourced from PubChem (CID 54603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).