(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine

C8H10BrN — CID 123474126

IUPAC(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C\C(=C)Br
InChIInChI=1S/C8H10BrN/c1-6(8(3)10)4-5-7(2)9/h4-5,10H,1-2H2,3H3/b5-4-,10-8+
InChIKeyUUXRYMLODLNOKH-BTCMVDHLSA-N
MW200.08 g/mol
LogP3.05
Rot. Bonds3

About (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine

(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine (PubChem CID 123474126) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
PubChem CID123474126
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C\C(=C)Br
InChIInChI=1S/C8H10BrN/c1-6(8(3)10)4-5-7(2)9/h4-5,10H,1-2H2,3H3/b5-4-,10-8+
InChIKeyUUXRYMLODLNOKH-BTCMVDHLSA-N
XLogP3.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3Z,7E)-2-bromo-8-fluoro-6-methylideneundeca-3,7-dien-5-imine
CID 123986029
(6Z)-3-bromo-5-fluoro-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 134172239
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
4-Bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine
CID 21335501
4-Bromocyclohexa-2,4-dien-1-imine
CID 53426495
6-Ethylidenecyclohexa-2,4-dien-1-imine
CID 67490002
4-Ethylcyclohexa-3,5-diene-1,2-diimine
CID 68028388
3-Methylcyclohexa-2,4-dien-1-imine
CID 68343210

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine?
The IUPAC name of (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine (CID 123474126) is (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine.
What is the SMILES notation for (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine?
The canonical SMILES for (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine is [H]/N=C(\C)C(=C)/C=C\C(=C)Br.
What is the InChIKey of (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine?
The InChIKey is UUXRYMLODLNOKH-BTCMVDHLSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6(8(3)10)4-5-7(2)9/h4-5,10H,1-2H2,3H3/b5-4-,10-8+.
What are the key properties of (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine?
(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine has a molecular weight of 200.08 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine is sourced from PubChem (CID 123474126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).