2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid

C10H7NO4S — CID 60790911

IUPAC2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1N1C(=O)C2CC2C1=O
InChIInChI=1S/C10H7NO4S/c12-7-5-3-6(5)8(13)11(7)9-4(10(14)15)1-2-16-9/h1-2,5-6H,3H2,(H,14,15)
InChIKeyWBHOGRLAMMKTLX-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.96
Rot. Bonds2

About 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid

2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid (PubChem CID 60790911) has the molecular formula C10H7NO4S and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid
PubChem CID60790911
Molecular FormulaC10H7NO4S
Molecular Weight237.24 g/mol
Exact Mass237.01
IUPAC Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1N1C(=O)C2CC2C1=O
InChIInChI=1S/C10H7NO4S/c12-7-5-3-6(5)8(13)11(7)9-4(10(14)15)1-2-16-9/h1-2,5-6H,3H2,(H,14,15)
InChIKeyWBHOGRLAMMKTLX-UHFFFAOYSA-N
XLogP0.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid (CID 60790911) is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1N1C(=O)C2CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid?
The InChIKey is WBHOGRLAMMKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4S/c12-7-5-3-6(5)8(13)11(7)9-4(10(14)15)1-2-16-9/h1-2,5-6H,3H2,(H,14,15).
What are the key properties of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid?
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 60790911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).