azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene

C8H11N — CID 69111182

IUPACazane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene
SMILESCc1c2ccc-2c1C.N
InChIInChI=1S/C8H8.H3N/c1-5-6(2)8-4-3-7(5)8;/h3-4H,1-2H3;1H3
InChIKeyVWNWOHTZFABWRI-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.45
Rot. Bonds

About azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene

azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 69111182) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameazane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID69111182
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Nameazane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene
SMILESCc1c2ccc-2c1C.N
InChIInChI=1S/C8H8.H3N/c1-5-6(2)8-4-3-7(5)8;/h3-4H,1-2H3;1H3
InChIKeyVWNWOHTZFABWRI-UHFFFAOYSA-N
XLogP2.45
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene (CID 69111182) is azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene is Cc1c2ccc-2c1C.N.
What is the InChIKey of azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is VWNWOHTZFABWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.H3N/c1-5-6(2)8-4-3-7(5)8;/h3-4H,1-2H3;1H3.
What are the key properties of azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene?
azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 121.18 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 69111182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).