(E)-pent-2-enedial

C5H6O2 — CID 6443717

IUPAC(E)-pent-2-enedial
SMILESO=C/C=C/CC=O
InChIInChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1-2,4-5H,3H2/b2-1+
InChIKeyNEOPYIBVKJWHMN-OWOJBTEDSA-N
MW98.10 g/mol
LogP0.33
Rot. Bonds3

About (E)-pent-2-enedial

(E)-pent-2-enedial (PubChem CID 6443717) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is (E)-pent-2-enedial.

Molecular Properties

Compound Name(E)-pent-2-enedial
PubChem CID6443717
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name(E)-pent-2-enedial
SMILESO=C/C=C/CC=O
InChIInChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1-2,4-5H,3H2/b2-1+
InChIKeyNEOPYIBVKJWHMN-OWOJBTEDSA-N
XLogP0.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-pent-2-enedial?
The IUPAC name of (E)-pent-2-enedial (CID 6443717) is (E)-pent-2-enedial.
What is the SMILES notation for (E)-pent-2-enedial?
The canonical SMILES for (E)-pent-2-enedial is O=C/C=C/CC=O.
What is the InChIKey of (E)-pent-2-enedial?
The InChIKey is NEOPYIBVKJWHMN-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1-2,4-5H,3H2/b2-1+.
What are the key properties of (E)-pent-2-enedial?
(E)-pent-2-enedial has a molecular weight of 98.10 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-2-enedial is sourced from PubChem (CID 6443717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).