4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine

C16H16N2O3S — CID 11823241

IUPAC4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C(\c2ccccc2)N2CCOCC2)s1
InChIInChI=1S/C16H16N2O3S/c19-18(20)16-7-6-14(22-16)12-15(13-4-2-1-3-5-13)17-8-10-21-11-9-17/h1-7,12H,8-11H2/b15-12+
InChIKeyJGHNEFWXUJZZTF-NTCAYCPXSA-N
MW316.38 g/mol
LogP3.49
Rot. Bonds4

About 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine

4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine (PubChem CID 11823241) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine
PubChem CID11823241
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C(\c2ccccc2)N2CCOCC2)s1
InChIInChI=1S/C16H16N2O3S/c19-18(20)16-7-6-14(22-16)12-15(13-4-2-1-3-5-13)17-8-10-21-11-9-17/h1-7,12H,8-11H2/b15-12+
InChIKeyJGHNEFWXUJZZTF-NTCAYCPXSA-N
XLogP3.49
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine?
The IUPAC name of 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine (CID 11823241) is 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine is O=[N+]([O-])c1ccc(/C=C(\c2ccccc2)N2CCOCC2)s1.
What is the InChIKey of 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine?
The InChIKey is JGHNEFWXUJZZTF-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-18(20)16-7-6-14(22-16)12-15(13-4-2-1-3-5-13)17-8-10-21-11-9-17/h1-7,12H,8-11H2/b15-12+.
What are the key properties of 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine?
4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine has a molecular weight of 316.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-nitrothiophen-2-yl)-1-phenylethenyl]morpholine is sourced from PubChem (CID 11823241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).