chloro pent-3-enoate

C5H7ClO2 — CID 174877154

IUPACchloro pent-3-enoate
SMILESCC=CCC(=O)OCl
InChIInChI=1S/C5H7ClO2/c1-2-3-4-5(7)8-6/h2-3H,4H2,1H3
InChIKeyFDXJFTPGHHRXJB-UHFFFAOYSA-N
MW134.56 g/mol
LogP1.65
Rot. Bonds2

About chloro pent-3-enoate

chloro pent-3-enoate (PubChem CID 174877154) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is chloro pent-3-enoate.

Molecular Properties

Compound Namechloro pent-3-enoate
PubChem CID174877154
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Namechloro pent-3-enoate
SMILESCC=CCC(=O)OCl
InChIInChI=1S/C5H7ClO2/c1-2-3-4-5(7)8-6/h2-3H,4H2,1H3
InChIKeyFDXJFTPGHHRXJB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro pent-3-enoate?
The IUPAC name of chloro pent-3-enoate (CID 174877154) is chloro pent-3-enoate.
What is the SMILES notation for chloro pent-3-enoate?
The canonical SMILES for chloro pent-3-enoate is CC=CCC(=O)OCl.
What is the InChIKey of chloro pent-3-enoate?
The InChIKey is FDXJFTPGHHRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c1-2-3-4-5(7)8-6/h2-3H,4H2,1H3.
What are the key properties of chloro pent-3-enoate?
chloro pent-3-enoate has a molecular weight of 134.56 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro pent-3-enoate is sourced from PubChem (CID 174877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).