7-chloro-4,4-dimethylazepine

C8H10ClN — CID 91541606

IUPAC7-chloro-4,4-dimethylazepine
SMILESCC1(C)C=CN=C(Cl)C=C1
InChIInChI=1S/C8H10ClN/c1-8(2)4-3-7(9)10-6-5-8/h3-6H,1-2H3
InChIKeyUMOCKSVAZZAIQJ-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.73
Rot. Bonds

About 7-chloro-4,4-dimethylazepine

7-chloro-4,4-dimethylazepine (PubChem CID 91541606) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 7-chloro-4,4-dimethylazepine.

Molecular Properties

Compound Name7-chloro-4,4-dimethylazepine
PubChem CID91541606
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name7-chloro-4,4-dimethylazepine
SMILESCC1(C)C=CN=C(Cl)C=C1
InChIInChI=1S/C8H10ClN/c1-8(2)4-3-7(9)10-6-5-8/h3-6H,1-2H3
InChIKeyUMOCKSVAZZAIQJ-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,7-Trimethylazepine
CID 91017286
4,4-Dimethylazepine
CID 91225310
7-Ethenyl-4,4-dimethylazepine
CID 126710450
4-Ethenyl-4-methylazepine
CID 130314508
7-chloro-5-methyl-4H-azepine
CID 142266453
7-chloro-3-methyl-4H-azepine
CID 143028513
(4S)-7-chloro-4-methylazepine-4-carbonitrile
CID 143965488
7-chloro-4-methyl-4H-azepine;ethane
CID 144795625
Ethane;4,4,7-trimethylazepine
CID 145323887
(Z)-4-ethenylimino-N-methylpent-2-enimidoyl chloride
CID 146400491
N-[(E)-but-1-enyl]-3-methylbut-2-enimidoyl chloride
CID 156280295
(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride
CID 169205074

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,4-dimethylazepine?
The IUPAC name of 7-chloro-4,4-dimethylazepine (CID 91541606) is 7-chloro-4,4-dimethylazepine.
What is the SMILES notation for 7-chloro-4,4-dimethylazepine?
The canonical SMILES for 7-chloro-4,4-dimethylazepine is CC1(C)C=CN=C(Cl)C=C1.
What is the InChIKey of 7-chloro-4,4-dimethylazepine?
The InChIKey is UMOCKSVAZZAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-8(2)4-3-7(9)10-6-5-8/h3-6H,1-2H3.
What are the key properties of 7-chloro-4,4-dimethylazepine?
7-chloro-4,4-dimethylazepine has a molecular weight of 155.63 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,4-dimethylazepine is sourced from PubChem (CID 91541606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).