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

C6H7N — CID 22311448

IUPACazane;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESN.c1cc2ccc1-2
InChIInChI=1S/C6H4.H3N/c1-2-6-4-3-5(1)6;/h1-4H;1H3
InChIKeyHFEONEOVFGLMRK-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.83
Rot. Bonds

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

azane;bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 22311448) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is azane;bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameazane;bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID22311448
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Nameazane;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESN.c1cc2ccc1-2
InChIInChI=1S/C6H4.H3N/c1-2-6-4-3-5(1)6;/h1-4H;1H3
InChIKeyHFEONEOVFGLMRK-UHFFFAOYSA-N
XLogP1.83
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azane;bicyclo[2.2.0]hexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of azane;bicyclo[2.2.0]hexa-1,3,5-triene (CID 22311448) is azane;bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for azane;bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for azane;bicyclo[2.2.0]hexa-1,3,5-triene is N.c1cc2ccc1-2.
What is the InChIKey of azane;bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is HFEONEOVFGLMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.H3N/c1-2-6-4-3-5(1)6;/h1-4H;1H3.
What are the key properties of azane;bicyclo[2.2.0]hexa-1,3,5-triene?
azane;bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 93.13 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 22311448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).