bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide

C9H7NO — CID 45084239

IUPACbicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide
SMILESNC(=O)C1=Cc2ccccc21
InChIInChI=1S/C9H7NO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H2,10,11)
InChIKeyIXWZTBUVAOCXGI-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.03
Rot. Bonds1

About bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide

bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide (PubChem CID 45084239) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide
PubChem CID45084239
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Namebicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide
SMILESNC(=O)C1=Cc2ccccc21
InChIInChI=1S/C9H7NO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H2,10,11)
InChIKeyIXWZTBUVAOCXGI-UHFFFAOYSA-N
XLogP1.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide (CID 45084239) is bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide is NC(=O)C1=Cc2ccccc21.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide?
The InChIKey is IXWZTBUVAOCXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H2,10,11).
What are the key properties of bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide?
bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide has a molecular weight of 145.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 45084239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).