4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine

C11H14N2O3S — CID 55016357

IUPAC4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine
SMILESC/C(=C\c1ccc(N2CCOCC2)s1)[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3S/c1-9(13(14)15)8-10-2-3-11(17-10)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3/b9-8+
InChIKeyWDOUHJTWGJSRMK-CMDGGOBGSA-N
MW254.31 g/mol
LogP2.22
Rot. Bonds3

About 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine

4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine (PubChem CID 55016357) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine
PubChem CID55016357
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine
SMILESC/C(=C\c1ccc(N2CCOCC2)s1)[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3S/c1-9(13(14)15)8-10-2-3-11(17-10)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3/b9-8+
InChIKeyWDOUHJTWGJSRMK-CMDGGOBGSA-N
XLogP2.22
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.22
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-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine?
The IUPAC name of 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine (CID 55016357) is 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine?
The canonical SMILES for 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine is C/C(=C\c1ccc(N2CCOCC2)s1)[N+](=O)[O-].
What is the InChIKey of 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine?
The InChIKey is WDOUHJTWGJSRMK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-9(13(14)15)8-10-2-3-11(17-10)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3/b9-8+.
What are the key properties of 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine?
4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine has a molecular weight of 254.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-nitroprop-1-enyl]thiophen-2-yl]morpholine is sourced from PubChem (CID 55016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).