(7Z)-azocine

C7H7N — CID 66692791

IUPAC(7Z)-azocine
SMILESC1=C/C=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-SCRHRVGRSA-N
MW105.14 g/mol
LogP1.70
Rot. Bonds

About (7Z)-azocine

(7Z)-azocine (PubChem CID 66692791) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is (7Z)-azocine.

Molecular Properties

Compound Name(7Z)-azocine
PubChem CID66692791
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name(7Z)-azocine
SMILESC1=C/C=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-SCRHRVGRSA-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 (7Z)-azocine?
The IUPAC name of (7Z)-azocine (CID 66692791) is (7Z)-azocine.
What is the SMILES notation for (7Z)-azocine?
The canonical SMILES for (7Z)-azocine is C1=C/C=C\N=C/C=C1.
What is the InChIKey of (7Z)-azocine?
The InChIKey is XXRGLCKZBCIEKO-SCRHRVGRSA-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 (7Z)-azocine?
(7Z)-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 (7Z)-azocine is sourced from PubChem (CID 66692791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).