(2E,5Z,7Z)-3-bromo-4H-azonine

C8H8BrN — CID 157325295

IUPAC(2E,5Z,7Z)-3-bromo-4H-azonine
SMILESBr/C1=C/N=C\C=C/C=C\C1
InChIInChI=1S/C8H8BrN/c9-8-5-3-1-2-4-6-10-7-8/h1-4,6-7H,5H2/b3-1-,4-2-,8-7+,10-6-
InChIKeyBULYMTPAWIQKGT-ZQCOOKLFSA-N
MW198.06 g/mol
LogP2.81
Rot. Bonds

About (2E,5Z,7Z)-3-bromo-4H-azonine

(2E,5Z,7Z)-3-bromo-4H-azonine (PubChem CID 157325295) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is (2E,5Z,7Z)-3-bromo-4H-azonine.

Molecular Properties

Compound Name(2E,5Z,7Z)-3-bromo-4H-azonine
PubChem CID157325295
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name(2E,5Z,7Z)-3-bromo-4H-azonine
SMILESBr/C1=C/N=C\C=C/C=C\C1
InChIInChI=1S/C8H8BrN/c9-8-5-3-1-2-4-6-10-7-8/h1-4,6-7H,5H2/b3-1-,4-2-,8-7+,10-6-
InChIKeyBULYMTPAWIQKGT-ZQCOOKLFSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z,7Z)-3-bromo-4H-azonine?
The IUPAC name of (2E,5Z,7Z)-3-bromo-4H-azonine (CID 157325295) is (2E,5Z,7Z)-3-bromo-4H-azonine.
What is the SMILES notation for (2E,5Z,7Z)-3-bromo-4H-azonine?
The canonical SMILES for (2E,5Z,7Z)-3-bromo-4H-azonine is Br/C1=C/N=C\C=C/C=C\C1.
What is the InChIKey of (2E,5Z,7Z)-3-bromo-4H-azonine?
The InChIKey is BULYMTPAWIQKGT-ZQCOOKLFSA-N. The full InChI is InChI=1S/C8H8BrN/c9-8-5-3-1-2-4-6-10-7-8/h1-4,6-7H,5H2/b3-1-,4-2-,8-7+,10-6-.
What are the key properties of (2E,5Z,7Z)-3-bromo-4H-azonine?
(2E,5Z,7Z)-3-bromo-4H-azonine has a molecular weight of 198.06 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z,7Z)-3-bromo-4H-azonine is sourced from PubChem (CID 157325295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).