2-methylbicyclo[4.1.0]hept-4-en-3-imine

C8H11N — CID 123206505

IUPAC2-methylbicyclo[4.1.0]hept-4-en-3-imine
SMILES[H]/N=C1\C=CC2CC2C1C
InChIInChI=1S/C8H11N/c1-5-7-4-6(7)2-3-8(5)9/h2-3,5-7,9H,4H2,1H3/b9-8+
InChIKeyZZRJWYYSKUWVIF-CMDGGOBGSA-N
MW121.18 g/mol
LogP1.85
Rot. Bonds

About 2-methylbicyclo[4.1.0]hept-4-en-3-imine

2-methylbicyclo[4.1.0]hept-4-en-3-imine (PubChem CID 123206505) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-methylbicyclo[4.1.0]hept-4-en-3-imine.

Molecular Properties

Compound Name2-methylbicyclo[4.1.0]hept-4-en-3-imine
PubChem CID123206505
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-methylbicyclo[4.1.0]hept-4-en-3-imine
SMILES[H]/N=C1\C=CC2CC2C1C
InChIInChI=1S/C8H11N/c1-5-7-4-6(7)2-3-8(5)9/h2-3,5-7,9H,4H2,1H3/b9-8+
InChIKeyZZRJWYYSKUWVIF-CMDGGOBGSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylbicyclo[4.1.0]hept-4-en-3-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-Cyclohexyl-imino-2-butene
CID 129765474
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
4-Methylcyclohex-2-en-1-imine
CID 86188352
1-Cyclohex-3-en-1-ylethanimine
CID 88885301
3,5-Dimethylcyclohept-2-en-1-imine
CID 90778792
2,6-Dimethylcyclohept-2-en-1-imine
CID 90899794
4,5,6-Trimethylcyclohex-2-en-1-imine
CID 90968842
4a,9a-Dihydrobenzo[7]annulen-5-imine
CID 91161416
1-(6-Methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine
CID 91246055

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[4.1.0]hept-4-en-3-imine?
The IUPAC name of 2-methylbicyclo[4.1.0]hept-4-en-3-imine (CID 123206505) is 2-methylbicyclo[4.1.0]hept-4-en-3-imine.
What is the SMILES notation for 2-methylbicyclo[4.1.0]hept-4-en-3-imine?
The canonical SMILES for 2-methylbicyclo[4.1.0]hept-4-en-3-imine is [H]/N=C1\C=CC2CC2C1C.
What is the InChIKey of 2-methylbicyclo[4.1.0]hept-4-en-3-imine?
The InChIKey is ZZRJWYYSKUWVIF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-5-7-4-6(7)2-3-8(5)9/h2-3,5-7,9H,4H2,1H3/b9-8+.
What are the key properties of 2-methylbicyclo[4.1.0]hept-4-en-3-imine?
2-methylbicyclo[4.1.0]hept-4-en-3-imine has a molecular weight of 121.18 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[4.1.0]hept-4-en-3-imine is sourced from PubChem (CID 123206505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).