cyclooct-2-en-1-imine

C8H13N — CID 53431175

IUPACcyclooct-2-en-1-imine
SMILES[H]/N=C1\C=CCCCCC1
InChIInChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h4,6,9H,1-3,5,7H2/b6-4?,9-8+
InChIKeyKLQJOYGJZGEECI-CHPNIIKKSA-N
MW123.20 g/mol
LogP2.53
Rot. Bonds

About cyclooct-2-en-1-imine

cyclooct-2-en-1-imine (PubChem CID 53431175) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is cyclooct-2-en-1-imine.

Molecular Properties

Compound Namecyclooct-2-en-1-imine
PubChem CID53431175
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Namecyclooct-2-en-1-imine
SMILES[H]/N=C1\C=CCCCCC1
InChIInChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h4,6,9H,1-3,5,7H2/b6-4?,9-8+
InChIKeyKLQJOYGJZGEECI-CHPNIIKKSA-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'}

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Related Compounds

Cyclohexenimine
CID 18766735
Cyclohex-4-ene-1,3-diimine
CID 101179917
4-Fluorocyclohept-2-en-1-imine
CID 91309761
4-Fluorocycloocta-2,4-dien-1-imine
CID 123597459
Cyclohex-2-en-1-ylideneazanium
CID 135014091
(E)-[(4Z,8E)-8-hydrazinylidenecyclooct-4-en-1-ylidene]hydrazine
CID 9615243
Cyclohept-4-en-1-imine
CID 21797363
Cyclohept-2-en-1-imine
CID 22213566
(4Z)-cyclooct-4-en-1-imine
CID 22357533
Cyclohept-3-en-1-imine
CID 56974028
Cycloocta-3,5-dien-1-imine
CID 57206410
(4Z)-4-methylcyclooct-4-en-1-imine
CID 59932861

Frequently Asked Questions

What is the IUPAC name of cyclooct-2-en-1-imine?
The IUPAC name of cyclooct-2-en-1-imine (CID 53431175) is cyclooct-2-en-1-imine.
What is the SMILES notation for cyclooct-2-en-1-imine?
The canonical SMILES for cyclooct-2-en-1-imine is [H]/N=C1\C=CCCCCC1.
What is the InChIKey of cyclooct-2-en-1-imine?
The InChIKey is KLQJOYGJZGEECI-CHPNIIKKSA-N. The full InChI is InChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h4,6,9H,1-3,5,7H2/b6-4?,9-8+.
What are the key properties of cyclooct-2-en-1-imine?
cyclooct-2-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-2-en-1-imine is sourced from PubChem (CID 53431175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).