(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride

C6H7Cl2N — CID 145463721

IUPAC(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride
SMILESC=C(Cl)/N=C(Cl)\C=C/C
InChIInChI=1S/C6H7Cl2N/c1-3-4-6(8)9-5(2)7/h3-4H,2H2,1H3/b4-3-,9-6+
InChIKeyMYZHNFHKIKKMGK-ZNUQQGBJSA-N
MW164.03 g/mol
LogP2.91
Rot. Bonds2

About (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride

(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride (PubChem CID 145463721) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride
PubChem CID145463721
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride
SMILESC=C(Cl)/N=C(Cl)\C=C/C
InChIInChI=1S/C6H7Cl2N/c1-3-4-6(8)9-5(2)7/h3-4H,2H2,1H3/b4-3-,9-6+
InChIKeyMYZHNFHKIKKMGK-ZNUQQGBJSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.91
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'}

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Related Compounds

(E)-3-chloro-N-methylbut-2-enimidoyl chloride
CID 87171922
(E)-3-chloro-N-ethenylbut-2-enimidoyl chloride
CID 89969445
3-chloro-N-methylbut-2-enimidoyl chloride
CID 123339450
N-prop-1-enylbut-2-enimidoyl chloride
CID 123346450
N-[(Z)-but-2-en-2-yl]prop-2-enimidoyl chloride
CID 141923293
(1E)-N-[(E)-1-chloroprop-1-enyl]prop-2-enimidoyl chloride
CID 143520503
(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride;propane
CID 145614336
(1E)-N-(1-chloroethenyl)prop-2-enimidoyl chloride
CID 153331052
(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 165410693
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride
CID 173480045
N-[(1E)-1,3-dichlorobuta-1,3-dienyl]ethanimidoyl chloride
CID 173485084
(E)-2-chloro-N-(1-chloroethenyl)but-2-enimidoyl chloride
CID 173909713

Frequently Asked Questions

What is the IUPAC name of (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride?
The IUPAC name of (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride (CID 145463721) is (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride.
What is the SMILES notation for (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride?
The canonical SMILES for (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride is C=C(Cl)/N=C(Cl)\C=C/C.
What is the InChIKey of (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride?
The InChIKey is MYZHNFHKIKKMGK-ZNUQQGBJSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-3-4-6(8)9-5(2)7/h3-4H,2H2,1H3/b4-3-,9-6+.
What are the key properties of (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride?
(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride has a molecular weight of 164.03 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride is sourced from PubChem (CID 145463721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).