(5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine

C8H9Cl2N — CID 130412698

IUPAC(5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine
SMILESCC1C/C=C(Cl)\C=C/N=C\1Cl
InChIInChI=1S/C8H9Cl2N/c1-6-2-3-7(9)4-5-11-8(6)10/h3-6H,2H2,1H3/b5-4-,7-3+,11-8+
InChIKeyHPMVWXLQSCOWIJ-GMWUSMEFSA-N
MW190.07 g/mol
LogP3.30
Rot. Bonds

About (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine

(5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine (PubChem CID 130412698) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine.

Molecular Properties

Compound Name(5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine
PubChem CID130412698
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name(5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine
SMILESCC1C/C=C(Cl)\C=C/N=C\1Cl
InChIInChI=1S/C8H9Cl2N/c1-6-2-3-7(9)4-5-11-8(6)10/h3-6H,2H2,1H3/b5-4-,7-3+,11-8+
InChIKeyHPMVWXLQSCOWIJ-GMWUSMEFSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine?
The IUPAC name of (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine (CID 130412698) is (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine.
What is the SMILES notation for (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine?
The canonical SMILES for (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine is CC1C/C=C(Cl)\C=C/N=C\1Cl.
What is the InChIKey of (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine?
The InChIKey is HPMVWXLQSCOWIJ-GMWUSMEFSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-6-2-3-7(9)4-5-11-8(6)10/h3-6H,2H2,1H3/b5-4-,7-3+,11-8+.
What are the key properties of (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine?
(5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine has a molecular weight of 190.07 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2,6-dichloro-3-methyl-3,4-dihydroazocine is sourced from PubChem (CID 130412698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).