N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide

C8H7NO — CID 19746422

IUPACN-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide
SMILESCC(=O)Nc1cc2ccc1=2
InChIInChI=1S/C8H7NO/c1-5(10)9-8-4-6-2-3-7(6)8/h2-4H,1H3,(H,9,10)
InChIKeyLBQZJOBHYYVMRZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.25
Rot. Bonds1

About N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide

N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide (PubChem CID 19746422) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide
PubChem CID19746422
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC NameN-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide
SMILESCC(=O)Nc1cc2ccc1=2
InChIInChI=1S/C8H7NO/c1-5(10)9-8-4-6-2-3-7(6)8/h2-4H,1H3,(H,9,10)
InChIKeyLBQZJOBHYYVMRZ-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide (CID 19746422) is N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide is CC(=O)Nc1cc2ccc1=2.
What is the InChIKey of N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide?
The InChIKey is LBQZJOBHYYVMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-5(10)9-8-4-6-2-3-7(6)8/h2-4H,1H3,(H,9,10).
What are the key properties of N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide?
N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide has a molecular weight of 133.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)acetamide is sourced from PubChem (CID 19746422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).