6-chloro-3-ethyl-4H-azepine

C8H10ClN — CID 143013209

IUPAC6-chloro-3-ethyl-4H-azepine
SMILESCCC1=CN=CC(Cl)=CC1
InChIInChI=1S/C8H10ClN/c1-2-7-3-4-8(9)6-10-5-7/h4-6H,2-3H2,1H3
InChIKeyQZRLXUYLJNKRFM-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.88
Rot. Bonds1

About 6-chloro-3-ethyl-4H-azepine

6-chloro-3-ethyl-4H-azepine (PubChem CID 143013209) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 6-chloro-3-ethyl-4H-azepine.

Molecular Properties

Compound Name6-chloro-3-ethyl-4H-azepine
PubChem CID143013209
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name6-chloro-3-ethyl-4H-azepine
SMILESCCC1=CN=CC(Cl)=CC1
InChIInChI=1S/C8H10ClN/c1-2-7-3-4-8(9)6-10-5-7/h4-6H,2-3H2,1H3
InChIKeyQZRLXUYLJNKRFM-UHFFFAOYSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-ethyl-4H-azepine
CID 91584259
3-chloro-5-ethyl-2-methyl-4H-azepine
CID 123166609
3,6-dimethyl-4H-azepine
CID 123741598
3,7-Dimethyl-4,5-dihydroazocine
CID 123744165
3-ethyl-6-methyl-4H-azepine
CID 123879635
3-ethyl-5-methyl-4H-azepine
CID 123888480
5-ethyl-4H-azepine
CID 129215873
4-Chloro-4,6-dimethylazepine
CID 141930021
2-chloro-6-methyl-4H-azepine
CID 141972203
5-chloro-3-ethyl-7-methyl-4H-azepine
CID 142048476
7-chloro-3-methyl-4H-azepine
CID 143028513
3-propyl-4H-azepine
CID 143099206

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-4H-azepine?
The IUPAC name of 6-chloro-3-ethyl-4H-azepine (CID 143013209) is 6-chloro-3-ethyl-4H-azepine.
What is the SMILES notation for 6-chloro-3-ethyl-4H-azepine?
The canonical SMILES for 6-chloro-3-ethyl-4H-azepine is CCC1=CN=CC(Cl)=CC1.
What is the InChIKey of 6-chloro-3-ethyl-4H-azepine?
The InChIKey is QZRLXUYLJNKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-2-7-3-4-8(9)6-10-5-7/h4-6H,2-3H2,1H3.
What are the key properties of 6-chloro-3-ethyl-4H-azepine?
6-chloro-3-ethyl-4H-azepine has a molecular weight of 155.63 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-4H-azepine is sourced from PubChem (CID 143013209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).