(Z)-4-imino-2-methylpent-2-enimidoyl bromide

C6H9BrN2 — CID 138494925

IUPAC(Z)-4-imino-2-methylpent-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C(C)=C\C(C)=N\[H]
InChIInChI=1S/C6H9BrN2/c1-4(6(7)9)3-5(2)8/h3,8-9H,1-2H3/b4-3-,8-5+,9-6-
InChIKeyHVVHYEHJHSWJQN-QEBXBUSGSA-N
MW189.06 g/mol
LogP2.34
Rot. Bonds2

About (Z)-4-imino-2-methylpent-2-enimidoyl bromide

(Z)-4-imino-2-methylpent-2-enimidoyl bromide (PubChem CID 138494925) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is (Z)-4-imino-2-methylpent-2-enimidoyl bromide.

Molecular Properties

Compound Name(Z)-4-imino-2-methylpent-2-enimidoyl bromide
PubChem CID138494925
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name(Z)-4-imino-2-methylpent-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C(C)=C\C(C)=N\[H]
InChIInChI=1S/C6H9BrN2/c1-4(6(7)9)3-5(2)8/h3,8-9H,1-2H3/b4-3-,8-5+,9-6-
InChIKeyHVVHYEHJHSWJQN-QEBXBUSGSA-N
XLogP2.34
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-2-methylpent-2-enimidoyl bromide?
The IUPAC name of (Z)-4-imino-2-methylpent-2-enimidoyl bromide (CID 138494925) is (Z)-4-imino-2-methylpent-2-enimidoyl bromide.
What is the SMILES notation for (Z)-4-imino-2-methylpent-2-enimidoyl bromide?
The canonical SMILES for (Z)-4-imino-2-methylpent-2-enimidoyl bromide is [H]/N=C(Br)/C(C)=C\C(C)=N\[H].
What is the InChIKey of (Z)-4-imino-2-methylpent-2-enimidoyl bromide?
The InChIKey is HVVHYEHJHSWJQN-QEBXBUSGSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4(6(7)9)3-5(2)8/h3,8-9H,1-2H3/b4-3-,8-5+,9-6-.
What are the key properties of (Z)-4-imino-2-methylpent-2-enimidoyl bromide?
(Z)-4-imino-2-methylpent-2-enimidoyl bromide has a molecular weight of 189.06 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-2-methylpent-2-enimidoyl bromide is sourced from PubChem (CID 138494925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).