4-bromo-7-methylcyclohepta-2,4-dien-1-imine

C8H10BrN — CID 123491529

IUPAC4-bromo-7-methylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(Br)=CCC1C
InChIInChI=1S/C8H10BrN/c1-6-2-3-7(9)4-5-8(6)10/h3-6,10H,2H2,1H3/b10-8+
InChIKeyKGDPWPQMGLTXSX-CSKARUKUSA-N
MW200.08 g/mol
LogP2.88
Rot. Bonds

About 4-bromo-7-methylcyclohepta-2,4-dien-1-imine

4-bromo-7-methylcyclohepta-2,4-dien-1-imine (PubChem CID 123491529) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 4-bromo-7-methylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-bromo-7-methylcyclohepta-2,4-dien-1-imine
PubChem CID123491529
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name4-bromo-7-methylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(Br)=CCC1C
InChIInChI=1S/C8H10BrN/c1-6-2-3-7(9)4-5-8(6)10/h3-6,10H,2H2,1H3/b10-8+
InChIKeyKGDPWPQMGLTXSX-CSKARUKUSA-N
XLogP2.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-7-methylcyclohepta-2,4-dien-1-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-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
1-(3-Bromo-4-fluorocyclohexa-2,4-dien-1-yl)ethanimine
CID 135190469
4-Bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 90739036
10aH-heptalen-1-imine
CID 90890085
(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine
CID 123217383
(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine
CID 123335649
(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
CID 123474126
7-Ethylcyclohepta-2,4-dien-1-imine
CID 123593258
(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine
CID 123633438
6-Methylcyclohepta-2,4-dien-1-imine
CID 123782206
4,7-Diethylcyclohepta-2,4-dien-1-imine
CID 123881746
4-Propan-2-ylcyclohepta-2,4-dien-1-imine
CID 123981084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 4-bromo-7-methylcyclohepta-2,4-dien-1-imine (CID 123491529) is 4-bromo-7-methylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 4-bromo-7-methylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 4-bromo-7-methylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=CC(Br)=CCC1C.
What is the InChIKey of 4-bromo-7-methylcyclohepta-2,4-dien-1-imine?
The InChIKey is KGDPWPQMGLTXSX-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-2-3-7(9)4-5-8(6)10/h3-6,10H,2H2,1H3/b10-8+.
What are the key properties of 4-bromo-7-methylcyclohepta-2,4-dien-1-imine?
4-bromo-7-methylcyclohepta-2,4-dien-1-imine has a molecular weight of 200.08 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123491529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).