ethyl (Z)-3-chloroprop-2-enoate

C5H7ClO2 — CID 643841

IUPACethyl (Z)-3-chloroprop-2-enoate
SMILESCCOC(=O)/C=C\Cl
InChIInChI=1S/C5H7ClO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKeyOKMYNYPNNCRXCE-ARJAWSKDSA-N
MW134.56 g/mol
LogP1.30
Rot. Bonds2

About ethyl (Z)-3-chloroprop-2-enoate

ethyl (Z)-3-chloroprop-2-enoate (PubChem CID 643841) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is ethyl (Z)-3-chloroprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-chloroprop-2-enoate
PubChem CID643841
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Nameethyl (Z)-3-chloroprop-2-enoate
SMILESCCOC(=O)/C=C\Cl
InChIInChI=1S/C5H7ClO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKeyOKMYNYPNNCRXCE-ARJAWSKDSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-chloroprop-2-enoate?
The IUPAC name of ethyl (Z)-3-chloroprop-2-enoate (CID 643841) is ethyl (Z)-3-chloroprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-chloroprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-chloroprop-2-enoate is CCOC(=O)/C=C\Cl.
What is the InChIKey of ethyl (Z)-3-chloroprop-2-enoate?
The InChIKey is OKMYNYPNNCRXCE-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7ClO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-.
What are the key properties of ethyl (Z)-3-chloroprop-2-enoate?
ethyl (Z)-3-chloroprop-2-enoate has a molecular weight of 134.56 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-chloroprop-2-enoate is sourced from PubChem (CID 643841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).