7-bicyclo[4.2.0]octa-3,5-dienylmethanimine

C9H11N — CID 57147783

IUPAC7-bicyclo[4.2.0]octa-3,5-dienylmethanimine
SMILES[H]/N=C/C1CC2CC=CC=C12
InChIInChI=1S/C9H11N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-2,4,6-8,10H,3,5H2/b10-6+
InChIKeyQLBXRAQLLYPCHO-UXBLZVDNSA-N
MW133.19 g/mol
LogP2.16
Rot. Bonds1

About 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine

7-bicyclo[4.2.0]octa-3,5-dienylmethanimine (PubChem CID 57147783) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-3,5-dienylmethanimine
PubChem CID57147783
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name7-bicyclo[4.2.0]octa-3,5-dienylmethanimine
SMILES[H]/N=C/C1CC2CC=CC=C12
InChIInChI=1S/C9H11N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-2,4,6-8,10H,3,5H2/b10-6+
InChIKeyQLBXRAQLLYPCHO-UXBLZVDNSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.16
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

1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
3-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 89893781
4-Cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-1-imine
CID 91615402
(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine
CID 121307032
3-(5-Methylcyclohexen-1-yl)prop-2-en-1-imine
CID 123367735
3-[(6-Methylcyclohepta-1,2,4,6-tetraen-1-yl)methyl]pentan-1-imine
CID 123575362
2-Cyclohex-3-en-1-ylethanimine
CID 123717181
(4-Methylidenecyclohex-2-en-1-yl)methanimine
CID 123811103
2-(3-Methylcyclohexa-2,4-dien-1-yl)ethanimine
CID 123830887
3-Butan-2-yl-2,7-dimethylocta-5,7-dien-1-imine
CID 124022710
(2Z,4Z)-8-cyclobutyl-4-propa-1,2-dienylocta-2,4-dien-1-imine
CID 137413139

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine?
The IUPAC name of 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine (CID 57147783) is 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine is [H]/N=C/C1CC2CC=CC=C12.
What is the InChIKey of 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine?
The InChIKey is QLBXRAQLLYPCHO-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-2,4,6-8,10H,3,5H2/b10-6+.
What are the key properties of 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine?
7-bicyclo[4.2.0]octa-3,5-dienylmethanimine has a molecular weight of 133.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-3,5-dienylmethanimine is sourced from PubChem (CID 57147783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).