(3Z,5Z,7Z)-azocine

C7H7N — CID 6451481

IUPAC(3Z,5Z,7Z)-azocine
SMILESC1=C\C=C/N=C\C=C/1
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-BONZMOEMSA-N
MW105.14 g/mol
LogP1.70
Rot. Bonds

About (3Z,5Z,7Z)-azocine

(3Z,5Z,7Z)-azocine (PubChem CID 6451481) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is (3Z,5Z,7Z)-azocine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-azocine
PubChem CID6451481
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name(3Z,5Z,7Z)-azocine
SMILESC1=C\C=C/N=C\C=C/1
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-BONZMOEMSA-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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Related Compounds

CID 6414715
CID 6414715
CID 10888579
CID 10888579
CID 11126177
CID 11126177
CID 12327865
CID 12327865
CID 13014695
CID 13014695
CID 71428983
CID 71428983
CID 11378525
CID 11378525
CID 11521193
CID 11521193
CID 12485401
CID 12485401
CID 12761937
CID 12761937
CID 12931150
CID 12931150
CID 12931151
CID 12931151

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-azocine?
The IUPAC name of (3Z,5Z,7Z)-azocine (CID 6451481) is (3Z,5Z,7Z)-azocine.
What is the SMILES notation for (3Z,5Z,7Z)-azocine?
The canonical SMILES for (3Z,5Z,7Z)-azocine is C1=C\C=C/N=C\C=C/1.
What is the InChIKey of (3Z,5Z,7Z)-azocine?
The InChIKey is XXRGLCKZBCIEKO-BONZMOEMSA-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 (3Z,5Z,7Z)-azocine?
(3Z,5Z,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 (3Z,5Z,7Z)-azocine is sourced from PubChem (CID 6451481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).