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

C8H8ClN — CID 18627824

IUPACbicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride
SMILESCl.NC1=Cc2ccccc21
InChIInChI=1S/C8H7N.ClH/c9-8-5-6-3-1-2-4-7(6)8;/h1-5H,9H2;1H
InChIKeyLLSQIZAJLXREQC-UHFFFAOYSA-N
MW153.61 g/mol
LogP1.88
Rot. Bonds

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

bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride (PubChem CID 18627824) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride
PubChem CID18627824
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Namebicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride
SMILESCl.NC1=Cc2ccccc21
InChIInChI=1S/C8H7N.ClH/c9-8-5-6-3-1-2-4-7(6)8;/h1-5H,9H2;1H
InChIKeyLLSQIZAJLXREQC-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 51.88
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;hydrochloride?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride (CID 18627824) is bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride is Cl.NC1=Cc2ccccc21.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride?
The InChIKey is LLSQIZAJLXREQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.ClH/c9-8-5-6-3-1-2-4-7(6)8;/h1-5H,9H2;1H.
What are the key properties of bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride?
bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 1.88, 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;hydrochloride is sourced from PubChem (CID 18627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).