N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine

C7H7BrClN — CID 178148977

IUPACN-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine
SMILESC=N/C(Cl)=C\C(=C)C(=C)Br
InChIInChI=1S/C7H7BrClN/c1-5(6(2)8)4-7(9)10-3/h4H,1-3H2/b7-4-
InChIKeyYVLRHZRFTHCBHQ-DAXSKMNVSA-N
MW220.50 g/mol
LogP3.23
Rot. Bonds3

About N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine

N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine (PubChem CID 178148977) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine
PubChem CID178148977
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC NameN-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine
SMILESC=N/C(Cl)=C\C(=C)C(=C)Br
InChIInChI=1S/C7H7BrClN/c1-5(6(2)8)4-7(9)10-3/h4H,1-3H2/b7-4-
InChIKeyYVLRHZRFTHCBHQ-DAXSKMNVSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-chlorobuta-1,3-diene
CID 12636267
(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145158883
(3Z)-3-bromo-4-chloro-4-(methylideneamino)buta-1,3-dien-2-amine
CID 172622339
(3E)-4-chlorohexa-1,3,5-trien-2-ol
CID 89259712
(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
CID 143720548
N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine
CID 167167541
(3E)-3-bromo-5-chlorohexa-1,3,5-trien-2-ol
CID 144892135
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
CID 154656713
(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
CID 153356245
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
(2Z,4E)-5-chloro-3-N-cyclohexyl-5-(methylideneamino)penta-2,4-diene-2,3-diamine
CID 134251209
N-[C-[(E)-2-chloro-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]cyclopropanecarboxamide
CID 165133968

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine?
The IUPAC name of N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine (CID 178148977) is N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine?
The canonical SMILES for N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine is C=N/C(Cl)=C\C(=C)C(=C)Br.
What is the InChIKey of N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine?
The InChIKey is YVLRHZRFTHCBHQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-5(6(2)8)4-7(9)10-3/h4H,1-3H2/b7-4-.
What are the key properties of N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine?
N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine has a molecular weight of 220.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine is sourced from PubChem (CID 178148977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).