5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine

C11H14ClN — CID 123828130

IUPAC5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine
SMILESCCC1=CN=C2CCCC2=C(Cl)C1
InChIInChI=1S/C11H14ClN/c1-2-8-6-10(12)9-4-3-5-11(9)13-7-8/h7H,2-6H2,1H3
InChIKeyAQZAALINZLBORI-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.80
Rot. Bonds1

About 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine

5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine (PubChem CID 123828130) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine.

Molecular Properties

Compound Name5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine
PubChem CID123828130
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine
SMILESCCC1=CN=C2CCCC2=C(Cl)C1
InChIInChI=1S/C11H14ClN/c1-2-8-6-10(12)9-4-3-5-11(9)13-7-8/h7H,2-6H2,1H3
InChIKeyAQZAALINZLBORI-UHFFFAOYSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-6-fluoro-5,7-dimethyl-4H-azepine
CID 167199795
5-chloro-3-ethyl-7-methyl-4H-azepine
CID 142048476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine?
The IUPAC name of 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine (CID 123828130) is 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine.
What is the SMILES notation for 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine?
The canonical SMILES for 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine is CCC1=CN=C2CCCC2=C(Cl)C1.
What is the InChIKey of 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine?
The InChIKey is AQZAALINZLBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-8-6-10(12)9-4-3-5-11(9)13-7-8/h7H,2-6H2,1H3.
What are the key properties of 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine?
5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine has a molecular weight of 195.69 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-4,6,7,8-tetrahydrocyclopenta[b]azepine is sourced from PubChem (CID 123828130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).