7,8-dichloro-6-methyl-4,5-dihydroazocine

C8H9Cl2N — CID 123997859

IUPAC7,8-dichloro-6-methyl-4,5-dihydroazocine
SMILESCC1=C(Cl)/C(Cl)=N\C=CCC1
InChIInChI=1S/C8H9Cl2N/c1-6-4-2-3-5-11-8(10)7(6)9/h3,5H,2,4H2,1H3/b5-3?,7-6?,11-8+
InChIKeyGFQWRYMKDNCVBP-QLHDIZFLSA-N
MW190.07 g/mol
LogP3.44
Rot. Bonds

About 7,8-dichloro-6-methyl-4,5-dihydroazocine

7,8-dichloro-6-methyl-4,5-dihydroazocine (PubChem CID 123997859) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 7,8-dichloro-6-methyl-4,5-dihydroazocine.

Molecular Properties

Compound Name7,8-dichloro-6-methyl-4,5-dihydroazocine
PubChem CID123997859
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name7,8-dichloro-6-methyl-4,5-dihydroazocine
SMILESCC1=C(Cl)/C(Cl)=N\C=CCC1
InChIInChI=1S/C8H9Cl2N/c1-6-4-2-3-5-11-8(10)7(6)9/h3,5H,2,4H2,1H3/b5-3?,7-6?,11-8+
InChIKeyGFQWRYMKDNCVBP-QLHDIZFLSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
CID 143344511
(E)-3-chloro-N-ethenylhept-2-enimidoyl chloride
CID 143499632
(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
CID 155274564
2-Chloro-3-methyl-4,5-dihydroazocine
CID 163799912
7-chloro-5-ethyl-6-methyl-4H-azepine
CID 170274140
(2E)-9-chloro-8-methyl-5,6-dihydro-4H-azonine
CID 173896799
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride
CID 142934742
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride
CID 143344512
(E)-N-[(Z)-but-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 177007694

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-6-methyl-4,5-dihydroazocine?
The IUPAC name of 7,8-dichloro-6-methyl-4,5-dihydroazocine (CID 123997859) is 7,8-dichloro-6-methyl-4,5-dihydroazocine.
What is the SMILES notation for 7,8-dichloro-6-methyl-4,5-dihydroazocine?
The canonical SMILES for 7,8-dichloro-6-methyl-4,5-dihydroazocine is CC1=C(Cl)/C(Cl)=N\C=CCC1.
What is the InChIKey of 7,8-dichloro-6-methyl-4,5-dihydroazocine?
The InChIKey is GFQWRYMKDNCVBP-QLHDIZFLSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-6-4-2-3-5-11-8(10)7(6)9/h3,5H,2,4H2,1H3/b5-3?,7-6?,11-8+.
What are the key properties of 7,8-dichloro-6-methyl-4,5-dihydroazocine?
7,8-dichloro-6-methyl-4,5-dihydroazocine has a molecular weight of 190.07 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-6-methyl-4,5-dihydroazocine is sourced from PubChem (CID 123997859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).