7-chloro-4-methyl-4H-azepine

C7H8ClN — CID 144795626

IUPAC7-chloro-4-methyl-4H-azepine
SMILESCC1C=CN=C(Cl)C=C1
InChIInChI=1S/C7H8ClN/c1-6-2-3-7(8)9-5-4-6/h2-6H,1H3
InChIKeyHPJJHWJFUZNFOU-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.34
Rot. Bonds

About 7-chloro-4-methyl-4H-azepine

7-chloro-4-methyl-4H-azepine (PubChem CID 144795626) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 7-chloro-4-methyl-4H-azepine.

Molecular Properties

Compound Name7-chloro-4-methyl-4H-azepine
PubChem CID144795626
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name7-chloro-4-methyl-4H-azepine
SMILESCC1C=CN=C(Cl)C=C1
InChIInChI=1S/C7H8ClN/c1-6-2-3-7(8)9-5-4-6/h2-6H,1H3
InChIKeyHPJJHWJFUZNFOU-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-6-chloro-3-methyl-2,3-dihydropyridine
CID 89245175
4-methyl-4H-azepine
CID 91086271
3-chloro-7-methyl-4H-azepine
CID 91274266
7-Chloro-4,4-dimethylazepine
CID 91541606
6-Chloro-3-methyl-2,3-dihydropyridine
CID 117748286
7-chloro-4-methyl-3,4-dihydro-2H-azepine
CID 123574094
(Z)-N-ethylpent-2-enimidoyl chloride
CID 129074728
4,7-dimethyl-4H-azepine
CID 129172573
ethane;4-methyl-4H-azepine
CID 141781352
7-chloro-5-methyl-4H-azepine
CID 142266453
2-chloro-4-methyl-4H-azepine
CID 142816909
7-chloro-3-methyl-4H-azepine
CID 143028513

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-4H-azepine?
The IUPAC name of 7-chloro-4-methyl-4H-azepine (CID 144795626) is 7-chloro-4-methyl-4H-azepine.
What is the SMILES notation for 7-chloro-4-methyl-4H-azepine?
The canonical SMILES for 7-chloro-4-methyl-4H-azepine is CC1C=CN=C(Cl)C=C1.
What is the InChIKey of 7-chloro-4-methyl-4H-azepine?
The InChIKey is HPJJHWJFUZNFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-6-2-3-7(8)9-5-4-6/h2-6H,1H3.
What are the key properties of 7-chloro-4-methyl-4H-azepine?
7-chloro-4-methyl-4H-azepine has a molecular weight of 141.60 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-4H-azepine is sourced from PubChem (CID 144795626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).