(2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine

C7H7BrN2 — CID 143711940

IUPAC(2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine
SMILESC=C1/C=C\N/N=C\C(Br)=C/1
InChIInChI=1S/C7H7BrN2/c1-6-2-3-9-10-5-7(8)4-6/h2-5,9H,1H2/b3-2-,7-4+,10-5-
InChIKeyCRUWPYGDTQNMIT-BTXBMSOWSA-N
MW199.05 g/mol
LogP1.92
Rot. Bonds

About (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine

(2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine (PubChem CID 143711940) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine.

Molecular Properties

Compound Name(2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine
PubChem CID143711940
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name(2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine
SMILESC=C1/C=C\N/N=C\C(Br)=C/1
InChIInChI=1S/C7H7BrN2/c1-6-2-3-9-10-5-7(8)4-6/h2-5,9H,1H2/b3-2-,7-4+,10-5-
InChIKeyCRUWPYGDTQNMIT-BTXBMSOWSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine?
The IUPAC name of (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine (CID 143711940) is (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine.
What is the SMILES notation for (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine?
The canonical SMILES for (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine is C=C1/C=C\N/N=C\C(Br)=C/1.
What is the InChIKey of (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine?
The InChIKey is CRUWPYGDTQNMIT-BTXBMSOWSA-N. The full InChI is InChI=1S/C7H7BrN2/c1-6-2-3-9-10-5-7(8)4-6/h2-5,9H,1H2/b3-2-,7-4+,10-5-.
What are the key properties of (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine?
(2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine has a molecular weight of 199.05 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7Z)-4-bromo-6-methylidene-1H-diazocine is sourced from PubChem (CID 143711940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).