cycloocta-3,5-dien-1-imine

C8H11N — CID 57206410

IUPACcycloocta-3,5-dien-1-imine
SMILES[H]/N=C1/CC=CC=CCC1
InChIInChI=1S/C8H11N/c9-8-6-4-2-1-3-5-7-8/h1-4,9H,5-7H2/b3-1?,4-2?,9-8-
InChIKeyAZFAWQSHLLUXAP-DFGWMBFGSA-N
MW121.18 g/mol
LogP2.30
Rot. Bonds

About cycloocta-3,5-dien-1-imine

cycloocta-3,5-dien-1-imine (PubChem CID 57206410) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is cycloocta-3,5-dien-1-imine.

Molecular Properties

Compound Namecycloocta-3,5-dien-1-imine
PubChem CID57206410
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namecycloocta-3,5-dien-1-imine
SMILES[H]/N=C1/CC=CC=CCC1
InChIInChI=1S/C8H11N/c9-8-6-4-2-1-3-5-7-8/h1-4,9H,5-7H2/b3-1?,4-2?,9-8-
InChIKeyAZFAWQSHLLUXAP-DFGWMBFGSA-N
XLogP2.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cycloocta-3,5-dien-1-imine?
The IUPAC name of cycloocta-3,5-dien-1-imine (CID 57206410) is cycloocta-3,5-dien-1-imine.
What is the SMILES notation for cycloocta-3,5-dien-1-imine?
The canonical SMILES for cycloocta-3,5-dien-1-imine is [H]/N=C1/CC=CC=CCC1.
What is the InChIKey of cycloocta-3,5-dien-1-imine?
The InChIKey is AZFAWQSHLLUXAP-DFGWMBFGSA-N. The full InChI is InChI=1S/C8H11N/c9-8-6-4-2-1-3-5-7-8/h1-4,9H,5-7H2/b3-1?,4-2?,9-8-.
What are the key properties of cycloocta-3,5-dien-1-imine?
cycloocta-3,5-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-3,5-dien-1-imine is sourced from PubChem (CID 57206410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).