2-ethenylidenepenta-3,4-dienal

C7H6O — CID 123742460

IUPAC2-ethenylidenepenta-3,4-dienal
SMILESC=C=CC(=C=C)C=O
InChIInChI=1S/C7H6O/c1-3-5-7(4-2)6-8/h5-6H,1-2H2
InChIKeyNBPSQKKAASXGDH-UHFFFAOYSA-N
MW106.12 g/mol
LogP1.24
Rot. Bonds2

About 2-ethenylidenepenta-3,4-dienal

2-ethenylidenepenta-3,4-dienal (PubChem CID 123742460) has the molecular formula C7H6O and a molecular weight of 106.12 g/mol. Its IUPAC name is 2-ethenylidenepenta-3,4-dienal.

Molecular Properties

Compound Name2-ethenylidenepenta-3,4-dienal
PubChem CID123742460
Molecular FormulaC7H6O
Molecular Weight106.12 g/mol
Exact Mass106.04
IUPAC Name2-ethenylidenepenta-3,4-dienal
SMILESC=C=CC(=C=C)C=O
InChIInChI=1S/C7H6O/c1-3-5-7(4-2)6-8/h5-6H,1-2H2
InChIKeyNBPSQKKAASXGDH-UHFFFAOYSA-N
XLogP1.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylidenepenta-3,4-dienal?
The IUPAC name of 2-ethenylidenepenta-3,4-dienal (CID 123742460) is 2-ethenylidenepenta-3,4-dienal.
What is the SMILES notation for 2-ethenylidenepenta-3,4-dienal?
The canonical SMILES for 2-ethenylidenepenta-3,4-dienal is C=C=CC(=C=C)C=O.
What is the InChIKey of 2-ethenylidenepenta-3,4-dienal?
The InChIKey is NBPSQKKAASXGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O/c1-3-5-7(4-2)6-8/h5-6H,1-2H2.
What are the key properties of 2-ethenylidenepenta-3,4-dienal?
2-ethenylidenepenta-3,4-dienal has a molecular weight of 106.12 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidenepenta-3,4-dienal is sourced from PubChem (CID 123742460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).