(E)-3-methoxyprop-2-enoyl chloride

C4H5ClO2 — CID 10154044

IUPAC(E)-3-methoxyprop-2-enoyl chloride
SMILESCO/C=C/C(=O)Cl
InChIInChI=1S/C4H5ClO2/c1-7-3-2-4(5)6/h2-3H,1H3/b3-2+
InChIKeyBONJIDVJFLTCSE-NSCUHMNNSA-N
MW120.53 g/mol
LogP0.91
Rot. Bonds2

About (E)-3-methoxyprop-2-enoyl chloride

(E)-3-methoxyprop-2-enoyl chloride (PubChem CID 10154044) has the molecular formula C4H5ClO2 and a molecular weight of 120.53 g/mol. Its IUPAC name is (E)-3-methoxyprop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-methoxyprop-2-enoyl chloride
PubChem CID10154044
Molecular FormulaC4H5ClO2
Molecular Weight120.53 g/mol
Exact Mass120.00
IUPAC Name(E)-3-methoxyprop-2-enoyl chloride
SMILESCO/C=C/C(=O)Cl
InChIInChI=1S/C4H5ClO2/c1-7-3-2-4(5)6/h2-3H,1H3/b3-2+
InChIKeyBONJIDVJFLTCSE-NSCUHMNNSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.53
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxyprop-2-enoyl chloride?
The IUPAC name of (E)-3-methoxyprop-2-enoyl chloride (CID 10154044) is (E)-3-methoxyprop-2-enoyl chloride.
What is the SMILES notation for (E)-3-methoxyprop-2-enoyl chloride?
The canonical SMILES for (E)-3-methoxyprop-2-enoyl chloride is CO/C=C/C(=O)Cl.
What is the InChIKey of (E)-3-methoxyprop-2-enoyl chloride?
The InChIKey is BONJIDVJFLTCSE-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H5ClO2/c1-7-3-2-4(5)6/h2-3H,1H3/b3-2+.
What are the key properties of (E)-3-methoxyprop-2-enoyl chloride?
(E)-3-methoxyprop-2-enoyl chloride has a molecular weight of 120.53 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxyprop-2-enoyl chloride is sourced from PubChem (CID 10154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).