1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one

C9H9NOS — CID 44561212

IUPAC1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2CC12c1cccs1
InChIInChI=1S/C9H9NOS/c11-8-9(4-6(9)5-10-8)7-2-1-3-12-7/h1-3,6H,4-5H2,(H,10,11)
InChIKeyOYWJYCLEIGSRLU-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.14
Rot. Bonds1

About 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one

1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 44561212) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID44561212
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2CC12c1cccs1
InChIInChI=1S/C9H9NOS/c11-8-9(4-6(9)5-10-8)7-2-1-3-12-7/h1-3,6H,4-5H2,(H,10,11)
InChIKeyOYWJYCLEIGSRLU-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one (CID 44561212) is 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one is O=C1NCC2CC12c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is OYWJYCLEIGSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c11-8-9(4-6(9)5-10-8)7-2-1-3-12-7/h1-3,6H,4-5H2,(H,10,11).
What are the key properties of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 179.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 44561212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).