(E)-2-methoxy-N-methylbut-2-enimidoyl chloride

C6H10ClNO — CID 176564123

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

About (E)-2-methoxy-N-methylbut-2-enimidoyl chloride

(E)-2-methoxy-N-methylbut-2-enimidoyl chloride (PubChem CID 176564123) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (E)-2-methoxy-N-methylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-2-methoxy-N-methylbut-2-enimidoyl chloride
PubChem CID176564123
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(E)-2-methoxy-N-methylbut-2-enimidoyl chloride
SMILESC/C=C(OC)\C(Cl)=N\C
InChIInChI=1S/C6H10ClNO/c1-4-5(9-3)6(7)8-2/h4H,1-3H3/b5-4+,8-6-
InChIKeyWMDQLSVCNKRQFC-LMJRQTCTSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-N-methylbut-2-enimidoyl chloride?
The IUPAC name of (E)-2-methoxy-N-methylbut-2-enimidoyl chloride (CID 176564123) is (E)-2-methoxy-N-methylbut-2-enimidoyl chloride.
What is the SMILES notation for (E)-2-methoxy-N-methylbut-2-enimidoyl chloride?
The canonical SMILES for (E)-2-methoxy-N-methylbut-2-enimidoyl chloride is C/C=C(OC)\C(Cl)=N\C.
What is the InChIKey of (E)-2-methoxy-N-methylbut-2-enimidoyl chloride?
The InChIKey is WMDQLSVCNKRQFC-LMJRQTCTSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-4-5(9-3)6(7)8-2/h4H,1-3H3/b5-4+,8-6-.
What are the key properties of (E)-2-methoxy-N-methylbut-2-enimidoyl chloride?
(E)-2-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 (E)-2-methoxy-N-methylbut-2-enimidoyl chloride is sourced from PubChem (CID 176564123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).