(1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine

C9H11Cl2N — CID 143378301

IUPAC(1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine
SMILESCC1=N/C(Cl)=C\CC(C)/C(Cl)=C\1
InChIInChI=1S/C9H11Cl2N/c1-6-3-4-9(11)12-7(2)5-8(6)10/h4-6H,3H2,1-2H3/b8-5+,9-4-,12-7-
InChIKeyPEHNPHRHNZZFAD-YLYNFKMOSA-N
MW204.10 g/mol
LogP3.69
Rot. Bonds

About (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine

(1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine (PubChem CID 143378301) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name(1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine
PubChem CID143378301
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name(1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine
SMILESCC1=N/C(Cl)=C\CC(C)/C(Cl)=C\1
InChIInChI=1S/C9H11Cl2N/c1-6-3-4-9(11)12-7(2)5-8(6)10/h4-6H,3H2,1-2H3/b8-5+,9-4-,12-7-
InChIKeyPEHNPHRHNZZFAD-YLYNFKMOSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1E,2E,6E)-2,6-dichloro-8-(chloromethyl)-4,5-dihydroazocine
CID 141925873
(1E,2Z,6E)-2,6,8-trichloro-5-methyl-4,5-dihydroazocine
CID 143378539
(5Z,7E)-2,6,8-trichloro-3-methyl-3,4-dihydroazocine
CID 174044122

Frequently Asked Questions

What is the IUPAC name of (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine?
The IUPAC name of (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine (CID 143378301) is (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine.
What is the SMILES notation for (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine?
The canonical SMILES for (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine is CC1=N/C(Cl)=C\CC(C)/C(Cl)=C\1.
What is the InChIKey of (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine?
The InChIKey is PEHNPHRHNZZFAD-YLYNFKMOSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-6-3-4-9(11)12-7(2)5-8(6)10/h4-6H,3H2,1-2H3/b8-5+,9-4-,12-7-.
What are the key properties of (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine?
(1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine has a molecular weight of 204.10 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z,6E)-2,6-dichloro-5,8-dimethyl-4,5-dihydroazocine is sourced from PubChem (CID 143378301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).