cycloocta-1,5-diene;pyridine

C13H17N — CID 67865070

IUPACcycloocta-1,5-diene;pyridine
SMILESC1=CCCC=CCC1.c1ccncc1
InChIInChI=1S/C8H12.C5H5N/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1/h1-2,7-8H,3-6H2;1-5H
InChIKeyMILONXGZZGBYNN-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.75
Rot. Bonds

About cycloocta-1,5-diene;pyridine

cycloocta-1,5-diene;pyridine (PubChem CID 67865070) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is cycloocta-1,5-diene;pyridine.

Molecular Properties

Compound Namecycloocta-1,5-diene;pyridine
PubChem CID67865070
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Namecycloocta-1,5-diene;pyridine
SMILESC1=CCCC=CCC1.c1ccncc1
InChIInChI=1S/C8H12.C5H5N/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1/h1-2,7-8H,3-6H2;1-5H
InChIKeyMILONXGZZGBYNN-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;pyridine?
The IUPAC name of cycloocta-1,5-diene;pyridine (CID 67865070) is cycloocta-1,5-diene;pyridine.
What is the SMILES notation for cycloocta-1,5-diene;pyridine?
The canonical SMILES for cycloocta-1,5-diene;pyridine is C1=CCCC=CCC1.c1ccncc1.
What is the InChIKey of cycloocta-1,5-diene;pyridine?
The InChIKey is MILONXGZZGBYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C5H5N/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1/h1-2,7-8H,3-6H2;1-5H.
What are the key properties of cycloocta-1,5-diene;pyridine?
cycloocta-1,5-diene;pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;pyridine is sourced from PubChem (CID 67865070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).