(2Z)-N-methylpenta-2,4-dienimidoyl bromide

C6H8BrN — CID 144946054

IUPAC(2Z)-N-methylpenta-2,4-dienimidoyl bromide
SMILESC=C/C=C\C(Br)=N\C
InChIInChI=1S/C6H8BrN/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4-,8-6-
InChIKeyNUUHNGNXRNEDSR-NADLECRISA-N
MW174.04 g/mol
LogP2.15
Rot. Bonds2

About (2Z)-N-methylpenta-2,4-dienimidoyl bromide

(2Z)-N-methylpenta-2,4-dienimidoyl bromide (PubChem CID 144946054) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is (2Z)-N-methylpenta-2,4-dienimidoyl bromide.

Molecular Properties

Compound Name(2Z)-N-methylpenta-2,4-dienimidoyl bromide
PubChem CID144946054
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name(2Z)-N-methylpenta-2,4-dienimidoyl bromide
SMILESC=C/C=C\C(Br)=N\C
InChIInChI=1S/C6H8BrN/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4-,8-6-
InChIKeyNUUHNGNXRNEDSR-NADLECRISA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.15
H-Bond Donors ≤ 50
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

(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 144770934
(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl bromide
CID 171540032
(Z)-N-(1-fluoroethyl)but-2-enimidoyl bromide
CID 173766812
(Z)-N-methylbut-2-enimidoyl bromide
CID 90070775
(2E)-3-bromo-N-methylpenta-2,4-dien-1-imine
CID 117793850
N-methylbut-2-enimidoyl bromide
CID 123265318
(Z)-N-propan-2-ylbut-2-enimidoyl bromide
CID 132034657
7-bromo-2H-azepine
CID 156769626
potassium (2Z)-N-methylpenta-2,4-dien-1-imine
CID 156851839
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride;ethane
CID 169108769

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methylpenta-2,4-dienimidoyl bromide?
The IUPAC name of (2Z)-N-methylpenta-2,4-dienimidoyl bromide (CID 144946054) is (2Z)-N-methylpenta-2,4-dienimidoyl bromide.
What is the SMILES notation for (2Z)-N-methylpenta-2,4-dienimidoyl bromide?
The canonical SMILES for (2Z)-N-methylpenta-2,4-dienimidoyl bromide is C=C/C=C\C(Br)=N\C.
What is the InChIKey of (2Z)-N-methylpenta-2,4-dienimidoyl bromide?
The InChIKey is NUUHNGNXRNEDSR-NADLECRISA-N. The full InChI is InChI=1S/C6H8BrN/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4-,8-6-.
What are the key properties of (2Z)-N-methylpenta-2,4-dienimidoyl bromide?
(2Z)-N-methylpenta-2,4-dienimidoyl bromide has a molecular weight of 174.04 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methylpenta-2,4-dienimidoyl bromide is sourced from PubChem (CID 144946054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).