bicyclo[4.2.0]octan-2-imine

C8H13N — CID 142909528

IUPACbicyclo[4.2.0]octan-2-imine
SMILES[H]/N=C1\CCCC2CCC12
InChIInChI=1S/C8H13N/c9-8-3-1-2-6-4-5-7(6)8/h6-7,9H,1-5H2/b9-8+
InChIKeyXXJPIDHZCHKRTR-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.22
Rot. Bonds

About bicyclo[4.2.0]octan-2-imine

bicyclo[4.2.0]octan-2-imine (PubChem CID 142909528) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is bicyclo[4.2.0]octan-2-imine.

Molecular Properties

Compound Namebicyclo[4.2.0]octan-2-imine
PubChem CID142909528
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Namebicyclo[4.2.0]octan-2-imine
SMILES[H]/N=C1\CCCC2CCC12
InChIInChI=1S/C8H13N/c9-8-3-1-2-6-4-5-7(6)8/h6-7,9H,1-5H2/b9-8+
InChIKeyXXJPIDHZCHKRTR-CMDGGOBGSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bicyclo[4.2.0]octan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine
CID 143341086
2-iminocyclopentan-1-ol
CID 131743641
(2-iminocyclopentyl)methanamine
CID 91322509
2-iminocyclohexan-1-amine
CID 23599757
(1R)-2-iminocyclohexane-1-carboxylic acid
CID 86316627
3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine
CID 123240819
3a,4,5,6,7,7a-hexahydro-1-benzothiophen-3-imine
CID 162411129
1-[(E)-(2-cyclopentylcyclopentylidene)amino]guanidine
CID 176528179
bicyclo[3.2.0]heptan-2-one
CID 543759
2-(4-methylpentan-2-yl)cyclohexan-1-imine
CID 163848333
N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide
CID 137139753
(3aS,3bR,6aS,7aS)-4-imino-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-3b-ol
CID 10103747

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octan-2-imine?
The IUPAC name of bicyclo[4.2.0]octan-2-imine (CID 142909528) is bicyclo[4.2.0]octan-2-imine.
What is the SMILES notation for bicyclo[4.2.0]octan-2-imine?
The canonical SMILES for bicyclo[4.2.0]octan-2-imine is [H]/N=C1\CCCC2CCC12.
What is the InChIKey of bicyclo[4.2.0]octan-2-imine?
The InChIKey is XXJPIDHZCHKRTR-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c9-8-3-1-2-6-4-5-7(6)8/h6-7,9H,1-5H2/b9-8+.
What are the key properties of bicyclo[4.2.0]octan-2-imine?
bicyclo[4.2.0]octan-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octan-2-imine is sourced from PubChem (CID 142909528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).