3-methoxy-N-methylbut-2-enimidoyl chloride

C6H10ClNO — CID 123505027

IUPAC3-methoxy-N-methylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C=C(C)OC
InChIInChI=1S/C6H10ClNO/c1-5(9-3)4-6(7)8-2/h4H,1-3H3/b5-4?,8-6-
InChIKeyUBFVQGWKQPUMEO-GFPPLSNOSA-N
MW147.60 g/mol
LogP1.80
Rot. Bonds2

About 3-methoxy-N-methylbut-2-enimidoyl chloride

3-methoxy-N-methylbut-2-enimidoyl chloride (PubChem CID 123505027) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 3-methoxy-N-methylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name3-methoxy-N-methylbut-2-enimidoyl chloride
PubChem CID123505027
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name3-methoxy-N-methylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C=C(C)OC
InChIInChI=1S/C6H10ClNO/c1-5(9-3)4-6(7)8-2/h4H,1-3H3/b5-4?,8-6-
InChIKeyUBFVQGWKQPUMEO-GFPPLSNOSA-N
XLogP1.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-methoxy-2H-pyrrole
CID 172826526
(E)-2-methoxy-N-methylbut-2-enimidoyl chloride
CID 176564123

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylbut-2-enimidoyl chloride?
The IUPAC name of 3-methoxy-N-methylbut-2-enimidoyl chloride (CID 123505027) is 3-methoxy-N-methylbut-2-enimidoyl chloride.
What is the SMILES notation for 3-methoxy-N-methylbut-2-enimidoyl chloride?
The canonical SMILES for 3-methoxy-N-methylbut-2-enimidoyl chloride is C/N=C(\Cl)C=C(C)OC.
What is the InChIKey of 3-methoxy-N-methylbut-2-enimidoyl chloride?
The InChIKey is UBFVQGWKQPUMEO-GFPPLSNOSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-5(9-3)4-6(7)8-2/h4H,1-3H3/b5-4?,8-6-.
What are the key properties of 3-methoxy-N-methylbut-2-enimidoyl chloride?
3-methoxy-N-methylbut-2-enimidoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylbut-2-enimidoyl chloride is sourced from PubChem (CID 123505027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).