N-but-3-en-2-ylethanimidoyl chloride

C6H10ClN — CID 131999393

IUPACN-but-3-en-2-ylethanimidoyl chloride
SMILESC=CC(C)/N=C(\C)Cl
InChIInChI=1S/C6H10ClN/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3/b8-6+
InChIKeyPLUXLEZHOIGQEU-SOFGYWHQSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds2

About N-but-3-en-2-ylethanimidoyl chloride

N-but-3-en-2-ylethanimidoyl chloride (PubChem CID 131999393) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is N-but-3-en-2-ylethanimidoyl chloride.

Molecular Properties

Compound NameN-but-3-en-2-ylethanimidoyl chloride
PubChem CID131999393
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC NameN-but-3-en-2-ylethanimidoyl chloride
SMILESC=CC(C)/N=C(\C)Cl
InChIInChI=1S/C6H10ClN/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3/b8-6+
InChIKeyPLUXLEZHOIGQEU-SOFGYWHQSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylethanimidoyl chloride
CID 134920005
N-(3-chlorobut-3-en-2-yl)ethanimine
CID 123834223
(Z)-N-propan-2-ylbut-2-enimidoyl chloride
CID 130307030
N-[(2S)-butan-2-yl]prop-2-enimidoyl chloride
CID 173791729
N-prop-2-enylbut-3-enimidoyl chloride
CID 87437875

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylethanimidoyl chloride?
The IUPAC name of N-but-3-en-2-ylethanimidoyl chloride (CID 131999393) is N-but-3-en-2-ylethanimidoyl chloride.
What is the SMILES notation for N-but-3-en-2-ylethanimidoyl chloride?
The canonical SMILES for N-but-3-en-2-ylethanimidoyl chloride is C=CC(C)/N=C(\C)Cl.
What is the InChIKey of N-but-3-en-2-ylethanimidoyl chloride?
The InChIKey is PLUXLEZHOIGQEU-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10ClN/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3/b8-6+.
What are the key properties of N-but-3-en-2-ylethanimidoyl chloride?
N-but-3-en-2-ylethanimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylethanimidoyl chloride is sourced from PubChem (CID 131999393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).