bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine

C8H7N — CID 18627802

IUPACbicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine
SMILESNC1=Cc2ccccc21
InChIInChI=1S/C8H7N/c9-8-5-6-3-1-2-4-7(6)8/h1-5H,9H2
InChIKeyRNKJKBFDTANUPF-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.46
Rot. Bonds

About bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine

bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine (PubChem CID 18627802) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine
PubChem CID18627802
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Namebicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine
SMILESNC1=Cc2ccccc21
InChIInChI=1S/C8H7N/c9-8-5-6-3-1-2-4-7(6)8/h1-5H,9H2
InChIKeyRNKJKBFDTANUPF-UHFFFAOYSA-N
XLogP1.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.46
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-tetraen-7-amine?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine (CID 18627802) is bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine is NC1=Cc2ccccc21.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine?
The InChIKey is RNKJKBFDTANUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c9-8-5-6-3-1-2-4-7(6)8/h1-5H,9H2.
What are the key properties of bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine?
bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine has a molecular weight of 117.15 g/mol, XLogP of 1.46, 0 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-tetraen-7-amine is sourced from PubChem (CID 18627802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).