cyclopenta[c]azepine

C9H7N — CID 638010

IUPACcyclopenta[c]azepine
SMILESc1cncc2cccc-2c1
InChIInChI=1S/C9H7N/c1-3-8-5-2-6-10-7-9(8)4-1/h1-7H
InChIKeyDPDCGVKTAWIGLD-UHFFFAOYSA-N
MW129.16 g/mol
LogP2.19
Rot. Bonds

About cyclopenta[c]azepine

cyclopenta[c]azepine (PubChem CID 638010) has the molecular formula C9H7N and a molecular weight of 129.16 g/mol. Its IUPAC name is cyclopenta[c]azepine.

Molecular Properties

Compound Namecyclopenta[c]azepine
PubChem CID638010
Molecular FormulaC9H7N
Molecular Weight129.16 g/mol
Exact Mass129.06
IUPAC Namecyclopenta[c]azepine
SMILESc1cncc2cccc-2c1
InChIInChI=1S/C9H7N/c1-3-8-5-2-6-10-7-9(8)4-1/h1-7H
InChIKeyDPDCGVKTAWIGLD-UHFFFAOYSA-N
XLogP2.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86232079
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
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3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
CID 141390156
CID 141390156
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
2,6-dipyridin-3-ylpyridine
CID 13349632

Frequently Asked Questions

What is the IUPAC name of cyclopenta[c]azepine?
The IUPAC name of cyclopenta[c]azepine (CID 638010) is cyclopenta[c]azepine.
What is the SMILES notation for cyclopenta[c]azepine?
The canonical SMILES for cyclopenta[c]azepine is c1cncc2cccc-2c1.
What is the InChIKey of cyclopenta[c]azepine?
The InChIKey is DPDCGVKTAWIGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N/c1-3-8-5-2-6-10-7-9(8)4-1/h1-7H.
What are the key properties of cyclopenta[c]azepine?
cyclopenta[c]azepine has a molecular weight of 129.16 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[c]azepine is sourced from PubChem (CID 638010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).