(Z)-3-(methylamino)prop-2-enimidoyl bromide

C4H7BrN2 — CID 137281421

IUPAC(Z)-3-(methylamino)prop-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C=C\NC
InChIInChI=1S/C4H7BrN2/c1-7-3-2-4(5)6/h2-3,6-7H,1H3/b3-2-,6-4-
InChIKeyYJOMUZBWZWLXER-BXAWZMCCSA-N
MW163.02 g/mol
LogP1.09
Rot. Bonds2

About (Z)-3-(methylamino)prop-2-enimidoyl bromide

(Z)-3-(methylamino)prop-2-enimidoyl bromide (PubChem CID 137281421) has the molecular formula C4H7BrN2 and a molecular weight of 163.02 g/mol. Its IUPAC name is (Z)-3-(methylamino)prop-2-enimidoyl bromide.

Molecular Properties

Compound Name(Z)-3-(methylamino)prop-2-enimidoyl bromide
PubChem CID137281421
Molecular FormulaC4H7BrN2
Molecular Weight163.02 g/mol
Exact Mass161.98
IUPAC Name(Z)-3-(methylamino)prop-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C=C\NC
InChIInChI=1S/C4H7BrN2/c1-7-3-2-4(5)6/h2-3,6-7H,1H3/b3-2-,6-4-
InChIKeyYJOMUZBWZWLXER-BXAWZMCCSA-N
XLogP1.09
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.02
LogP ≤ 51.09
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)-3-(methylamino)prop-2-enimidoyl bromide?
The IUPAC name of (Z)-3-(methylamino)prop-2-enimidoyl bromide (CID 137281421) is (Z)-3-(methylamino)prop-2-enimidoyl bromide.
What is the SMILES notation for (Z)-3-(methylamino)prop-2-enimidoyl bromide?
The canonical SMILES for (Z)-3-(methylamino)prop-2-enimidoyl bromide is [H]/N=C(Br)/C=C\NC.
What is the InChIKey of (Z)-3-(methylamino)prop-2-enimidoyl bromide?
The InChIKey is YJOMUZBWZWLXER-BXAWZMCCSA-N. The full InChI is InChI=1S/C4H7BrN2/c1-7-3-2-4(5)6/h2-3,6-7H,1H3/b3-2-,6-4-.
What are the key properties of (Z)-3-(methylamino)prop-2-enimidoyl bromide?
(Z)-3-(methylamino)prop-2-enimidoyl bromide has a molecular weight of 163.02 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)prop-2-enimidoyl bromide is sourced from PubChem (CID 137281421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).