7-bicyclo[4.2.0]octa-1,3,5-trienylazanium

C8H10N+ — CID 4235727

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
SMILES[NH3+]C1Cc2ccccc21
InChIInChI=1S/C8H9N/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5,9H2/p+1
InChIKeyOVLLQUKHPTXIBH-UHFFFAOYSA-O
MW120.17 g/mol
LogP0.53
Rot. Bonds

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

7-bicyclo[4.2.0]octa-1,3,5-trienylazanium (PubChem CID 4235727) has the molecular formula C8H10N+ and a molecular weight of 120.17 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
PubChem CID4235727
Molecular FormulaC8H10N+
Molecular Weight120.17 g/mol
Exact Mass120.08
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
SMILES[NH3+]C1Cc2ccccc21
InChIInChI=1S/C8H9N/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5,9H2/p+1
InChIKeyOVLLQUKHPTXIBH-UHFFFAOYSA-O
XLogP0.53
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
CID 87918176
CID 87918176
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
[(1S,2S)-1-azaniumyl-2,3-dihydro-1H-inden-2-yl] sulfate
CID 59408283
1,3-dibromo-1,2,3,4-tetrahydronaphthalene
CID 3023387

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium (CID 4235727) is 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium is [NH3+]C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium?
The InChIKey is OVLLQUKHPTXIBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5,9H2/p+1.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium?
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium has a molecular weight of 120.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienylazanium is sourced from PubChem (CID 4235727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).