(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride

C6H9ClN2 — CID 89278892

IUPAC(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride
SMILESC=N/C(C)=C\C(Cl)=N\C
InChIInChI=1S/C6H9ClN2/c1-5(8-2)4-6(7)9-3/h4H,2H2,1,3H3/b5-4-,9-6-
InChIKeyJXHLNUPDPHKNIC-WXOLFVLTSA-N
MW144.60 g/mol
LogP1.86
Rot. Bonds2

About (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride

(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride (PubChem CID 89278892) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride
PubChem CID89278892
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride
SMILESC=N/C(C)=C\C(Cl)=N\C
InChIInChI=1S/C6H9ClN2/c1-5(8-2)4-6(7)9-3/h4H,2H2,1,3H3/b5-4-,9-6-
InChIKeyJXHLNUPDPHKNIC-WXOLFVLTSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.86
H-Bond Donors ≤ 50
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)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride?
The IUPAC name of (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride (CID 89278892) is (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride is C=N/C(C)=C\C(Cl)=N\C.
What is the InChIKey of (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride?
The InChIKey is JXHLNUPDPHKNIC-WXOLFVLTSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5(8-2)4-6(7)9-3/h4H,2H2,1,3H3/b5-4-,9-6-.
What are the key properties of (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride?
(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride has a molecular weight of 144.60 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride is sourced from PubChem (CID 89278892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).