Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene

C6H6ClN — CID 68553278

IUPACazane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESC1=CC2=C(C=C21)Cl.N
InChIInChI=1S/C6H3Cl.H3N/c7-6-3-4-1-2-5(4)6;/h1-3H;1H3
InChIKeyYLTQVKQMYDCFBV-UHFFFAOYSA-N
MW127.57 g/mol
LogP—
Rot. Bonds

About Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene

Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 68553278) has the molecular formula C6H6ClN and a molecular weight of 127.57 g/mol. Its IUPAC name is azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound NameAzane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID68553278
Molecular FormulaC6H6ClN
Molecular Weight127.57 g/mol
Exact Mass127.02
IUPAC Nameazane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESC1=CC2=C(C=C21)Cl.N
InChIInChI=1S/C6H3Cl.H3N/c7-6-3-4-1-2-5(4)6;/h1-3H;1H3
InChIKeyYLTQVKQMYDCFBV-UHFFFAOYSA-N
XLogP—
TPSA1.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene (CID 68553278) is azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene is C1=CC2=C(C=C21)Cl.N.
What is the InChIKey of Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is YLTQVKQMYDCFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl.H3N/c7-6-3-4-1-2-5(4)6;/h1-3H;1H3.
What are the key properties of Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 127.57 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Azane;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 68553278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).