(2Z,6Z)-4,5-dihydroazocine

C7H9N — CID 18424410

IUPAC(2Z,6Z)-4,5-dihydroazocine
SMILESC1=C\CC/C=C\N=C/1
InChIInChI=1S/C7H9N/c1-2-4-6-8-7-5-3-1/h2,4-7H,1,3H2/b4-2-,7-5-,8-6-
InChIKeyUVQMGFOOJBEDKI-UGZLKAOKSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds

About (2Z,6Z)-4,5-dihydroazocine

(2Z,6Z)-4,5-dihydroazocine (PubChem CID 18424410) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (2Z,6Z)-4,5-dihydroazocine.

Molecular Properties

Compound Name(2Z,6Z)-4,5-dihydroazocine
PubChem CID18424410
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(2Z,6Z)-4,5-dihydroazocine
SMILESC1=C\CC/C=C\N=C/1
InChIInChI=1S/C7H9N/c1-2-4-6-8-7-5-3-1/h2,4-7H,1,3H2/b4-2-,7-5-,8-6-
InChIKeyUVQMGFOOJBEDKI-UGZLKAOKSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-4,5-dihydroazocine?
The IUPAC name of (2Z,6Z)-4,5-dihydroazocine (CID 18424410) is (2Z,6Z)-4,5-dihydroazocine.
What is the SMILES notation for (2Z,6Z)-4,5-dihydroazocine?
The canonical SMILES for (2Z,6Z)-4,5-dihydroazocine is C1=C\CC/C=C\N=C/1.
What is the InChIKey of (2Z,6Z)-4,5-dihydroazocine?
The InChIKey is UVQMGFOOJBEDKI-UGZLKAOKSA-N. The full InChI is InChI=1S/C7H9N/c1-2-4-6-8-7-5-3-1/h2,4-7H,1,3H2/b4-2-,7-5-,8-6-.
What are the key properties of (2Z,6Z)-4,5-dihydroazocine?
(2Z,6Z)-4,5-dihydroazocine has a molecular weight of 107.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-4,5-dihydroazocine is sourced from PubChem (CID 18424410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).