2-chloroprop-2-enyl (E)-but-2-enoate

C7H9ClO2 — CID 6434378

IUPAC2-chloroprop-2-enyl (E)-but-2-enoate
SMILESC=C(Cl)COC(=O)/C=C/C
InChIInChI=1S/C7H9ClO2/c1-3-4-7(9)10-5-6(2)8/h3-4H,2,5H2,1H3/b4-3+
InChIKeySGDUJTQUQYLRFH-ONEGZZNKSA-N
MW160.60 g/mol
LogP1.86
Rot. Bonds3

About 2-chloroprop-2-enyl (E)-but-2-enoate

2-chloroprop-2-enyl (E)-but-2-enoate (PubChem CID 6434378) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-chloroprop-2-enyl (E)-but-2-enoate.

Molecular Properties

Compound Name2-chloroprop-2-enyl (E)-but-2-enoate
PubChem CID6434378
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name2-chloroprop-2-enyl (E)-but-2-enoate
SMILESC=C(Cl)COC(=O)/C=C/C
InChIInChI=1S/C7H9ClO2/c1-3-4-7(9)10-5-6(2)8/h3-4H,2,5H2,1H3/b4-3+
InChIKeySGDUJTQUQYLRFH-ONEGZZNKSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.86
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 2-chloroprop-2-enyl (E)-but-2-enoate?
The IUPAC name of 2-chloroprop-2-enyl (E)-but-2-enoate (CID 6434378) is 2-chloroprop-2-enyl (E)-but-2-enoate.
What is the SMILES notation for 2-chloroprop-2-enyl (E)-but-2-enoate?
The canonical SMILES for 2-chloroprop-2-enyl (E)-but-2-enoate is C=C(Cl)COC(=O)/C=C/C.
What is the InChIKey of 2-chloroprop-2-enyl (E)-but-2-enoate?
The InChIKey is SGDUJTQUQYLRFH-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-3-4-7(9)10-5-6(2)8/h3-4H,2,5H2,1H3/b4-3+.
What are the key properties of 2-chloroprop-2-enyl (E)-but-2-enoate?
2-chloroprop-2-enyl (E)-but-2-enoate has a molecular weight of 160.60 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl (E)-but-2-enoate is sourced from PubChem (CID 6434378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).