azocine

C7H7N — CID 53438385

IUPACazocine
SMILESC1=CC=C/N=C\C=C1
InChIInChI=1S/C7H7N/c1-2-4-6-8-7-5-3-1/h1-7H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,8-6-,8-7?
InChIKeyXXRGLCKZBCIEKO-PUSWOEQHSA-N
MW105.14 g/mol
LogP1.70
Rot. Bonds

About azocine

azocine (PubChem CID 53438385) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is azocine.

Molecular Properties

Compound Nameazocine
PubChem CID53438385
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Nameazocine
SMILESC1=CC=C/N=C\C=C1
InChIInChI=1S/C7H7N/c1-2-4-6-8-7-5-3-1/h1-7H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,8-6-,8-7?
InChIKeyXXRGLCKZBCIEKO-PUSWOEQHSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azocine?
The IUPAC name of azocine (CID 53438385) is azocine.
What is the SMILES notation for azocine?
The canonical SMILES for azocine is C1=CC=C/N=C\C=C1.
What is the InChIKey of azocine?
The InChIKey is XXRGLCKZBCIEKO-PUSWOEQHSA-N. The full InChI is InChI=1S/C7H7N/c1-2-4-6-8-7-5-3-1/h1-7H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,8-6-,8-7?.
What are the key properties of azocine?
azocine has a molecular weight of 105.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocine is sourced from PubChem (CID 53438385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).