(E)-5-chloropent-2-enal

C5H7ClO — CID 15636911

IUPAC(E)-5-chloropent-2-enal
SMILESO=C/C=C/CCCl
InChIInChI=1S/C5H7ClO/c6-4-2-1-3-5-7/h1,3,5H,2,4H2/b3-1+
InChIKeyGIMDYEZZNCXDLJ-HNQUOIGGSA-N
MW118.56 g/mol
LogP1.37
Rot. Bonds3

About (E)-5-chloropent-2-enal

(E)-5-chloropent-2-enal (PubChem CID 15636911) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is (E)-5-chloropent-2-enal.

Molecular Properties

Compound Name(E)-5-chloropent-2-enal
PubChem CID15636911
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Name(E)-5-chloropent-2-enal
SMILESO=C/C=C/CCCl
InChIInChI=1S/C5H7ClO/c6-4-2-1-3-5-7/h1,3,5H,2,4H2/b3-1+
InChIKeyGIMDYEZZNCXDLJ-HNQUOIGGSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.56
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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)-5-chloropent-2-enal?
The IUPAC name of (E)-5-chloropent-2-enal (CID 15636911) is (E)-5-chloropent-2-enal.
What is the SMILES notation for (E)-5-chloropent-2-enal?
The canonical SMILES for (E)-5-chloropent-2-enal is O=C/C=C/CCCl.
What is the InChIKey of (E)-5-chloropent-2-enal?
The InChIKey is GIMDYEZZNCXDLJ-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H7ClO/c6-4-2-1-3-5-7/h1,3,5H,2,4H2/b3-1+.
What are the key properties of (E)-5-chloropent-2-enal?
(E)-5-chloropent-2-enal has a molecular weight of 118.56 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloropent-2-enal is sourced from PubChem (CID 15636911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).