5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one

C11H8N2O4S — CID 60644507

IUPAC5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)c1cccs1
InChIInChI=1S/C11H8N2O4S/c14-9(10-2-1-5-18-10)7-12-6-8(13(16)17)3-4-11(12)15/h1-6H,7H2
InChIKeyDWIWPLRUJJPDBA-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.70
Rot. Bonds4

About 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one

5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one (PubChem CID 60644507) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one
PubChem CID60644507
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)c1cccs1
InChIInChI=1S/C11H8N2O4S/c14-9(10-2-1-5-18-10)7-12-6-8(13(16)17)3-4-11(12)15/h1-6H,7H2
InChIKeyDWIWPLRUJJPDBA-UHFFFAOYSA-N
XLogP1.70
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
The IUPAC name of 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one (CID 60644507) is 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
The canonical SMILES for 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one is O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1cccs1.
What is the InChIKey of 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
The InChIKey is DWIWPLRUJJPDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-9(10-2-1-5-18-10)7-12-6-8(13(16)17)3-4-11(12)15/h1-6H,7H2.
What are the key properties of 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one has a molecular weight of 264.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 60644507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).