cyclooct-3-en-1-imine

C8H13N — CID 91001095

IUPACcyclooct-3-en-1-imine
SMILES[H]/N=C1/CC=CCCCC1
InChIInChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h2,4,9H,1,3,5-7H2/b4-2?,9-8-
InChIKeyLMKHQZQTCCWJOE-GYZRKVLYSA-N
MW123.20 g/mol
LogP2.53
Rot. Bonds

About cyclooct-3-en-1-imine

cyclooct-3-en-1-imine (PubChem CID 91001095) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is cyclooct-3-en-1-imine.

Molecular Properties

Compound Namecyclooct-3-en-1-imine
PubChem CID91001095
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Namecyclooct-3-en-1-imine
SMILES[H]/N=C1/CC=CCCCC1
InChIInChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h2,4,9H,1,3,5-7H2/b4-2?,9-8-
InChIKeyLMKHQZQTCCWJOE-GYZRKVLYSA-N
XLogP2.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooct-3-en-1-imine?
The IUPAC name of cyclooct-3-en-1-imine (CID 91001095) is cyclooct-3-en-1-imine.
What is the SMILES notation for cyclooct-3-en-1-imine?
The canonical SMILES for cyclooct-3-en-1-imine is [H]/N=C1/CC=CCCCC1.
What is the InChIKey of cyclooct-3-en-1-imine?
The InChIKey is LMKHQZQTCCWJOE-GYZRKVLYSA-N. The full InChI is InChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h2,4,9H,1,3,5-7H2/b4-2?,9-8-.
What are the key properties of cyclooct-3-en-1-imine?
cyclooct-3-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-3-en-1-imine is sourced from PubChem (CID 91001095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).