N-[(E)-but-2-en-2-yl]ethanimidoyl chloride

C6H10ClN — CID 166806829

IUPACN-[(E)-but-2-en-2-yl]ethanimidoyl chloride
SMILESC/C=C(C)/N=C(\C)Cl
InChIInChI=1S/C6H10ClN/c1-4-5(2)8-6(3)7/h4H,1-3H3/b5-4+,8-6+
InChIKeyRAGRIIKXPRVGTJ-DVBIZMGNSA-N
MW131.61 g/mol
LogP2.57
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]ethanimidoyl chloride

N-[(E)-but-2-en-2-yl]ethanimidoyl chloride (PubChem CID 166806829) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]ethanimidoyl chloride
PubChem CID166806829
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC NameN-[(E)-but-2-en-2-yl]ethanimidoyl chloride
SMILESC/C=C(C)/N=C(\C)Cl
InChIInChI=1S/C6H10ClN/c1-4-5(2)8-6(3)7/h4H,1-3H3/b5-4+,8-6+
InChIKeyRAGRIIKXPRVGTJ-DVBIZMGNSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(E)-but-2-en-2-yl]ethanimidoyl chloride?
The IUPAC name of N-[(E)-but-2-en-2-yl]ethanimidoyl chloride (CID 166806829) is N-[(E)-but-2-en-2-yl]ethanimidoyl chloride.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]ethanimidoyl chloride?
The canonical SMILES for N-[(E)-but-2-en-2-yl]ethanimidoyl chloride is C/C=C(C)/N=C(\C)Cl.
What is the InChIKey of N-[(E)-but-2-en-2-yl]ethanimidoyl chloride?
The InChIKey is RAGRIIKXPRVGTJ-DVBIZMGNSA-N. The full InChI is InChI=1S/C6H10ClN/c1-4-5(2)8-6(3)7/h4H,1-3H3/b5-4+,8-6+.
What are the key properties of N-[(E)-but-2-en-2-yl]ethanimidoyl chloride?
N-[(E)-but-2-en-2-yl]ethanimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]ethanimidoyl chloride is sourced from PubChem (CID 166806829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).