5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

C10H9NO3S — CID 71790495

IUPAC5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)c1ccsc1)C2
InChIInChI=1S/C10H9NO3S/c12-9(6-1-2-15-5-6)11-4-7-3-8(11)10(13)14-7/h1-2,5,7-8H,3-4H2
InChIKeyONMSOTJIOKBRSE-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.89
Rot. Bonds1

About 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 71790495) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID71790495
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)c1ccsc1)C2
InChIInChI=1S/C10H9NO3S/c12-9(6-1-2-15-5-6)11-4-7-3-8(11)10(13)14-7/h1-2,5,7-8H,3-4H2
InChIKeyONMSOTJIOKBRSE-UHFFFAOYSA-N
XLogP0.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 71790495) is 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1OC2CC1N(C(=O)c1ccsc1)C2.
What is the InChIKey of 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is ONMSOTJIOKBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-9(6-1-2-15-5-6)11-4-7-3-8(11)10(13)14-7/h1-2,5,7-8H,3-4H2.
What are the key properties of 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 223.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 71790495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).