2-ethenylidenepent-4-enal

C7H8O — CID 25179787

IUPAC2-ethenylidenepent-4-enal
SMILESC=C=C(C=O)CC=C
InChIInChI=1S/C7H8O/c1-3-5-7(4-2)6-8/h3,6H,1-2,5H2
InChIKeyDWKAITXEDKPEBC-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.47
Rot. Bonds3

About 2-ethenylidenepent-4-enal

2-ethenylidenepent-4-enal (PubChem CID 25179787) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-ethenylidenepent-4-enal.

Molecular Properties

Compound Name2-ethenylidenepent-4-enal
PubChem CID25179787
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name2-ethenylidenepent-4-enal
SMILESC=C=C(C=O)CC=C
InChIInChI=1S/C7H8O/c1-3-5-7(4-2)6-8/h3,6H,1-2,5H2
InChIKeyDWKAITXEDKPEBC-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenal
CID 16418
2-Methylpent-4-enal
CID 521355
4-Methylene-5-hexenal
CID 548982
3-Methyl-4-pentenal
CID 15683
(3S)-3-methylpent-4-enal
CID 59787455
(2S)-2-methyl-4-pentenal
CID 10176097
(2R)-2-methylpent-4-enal
CID 11018811
2-Methylene-4-pentenal
CID 534293
Vinyl-butyral
CID 9855453
3-Methylidenepent-4-enal
CID 10887834
2-Methylidenehex-5-enal
CID 53756826
(3R)-3-Methylpent-4-enal
CID 12755660

Frequently Asked Questions

What is the IUPAC name of 2-ethenylidenepent-4-enal?
The IUPAC name of 2-ethenylidenepent-4-enal (CID 25179787) is 2-ethenylidenepent-4-enal.
What is the SMILES notation for 2-ethenylidenepent-4-enal?
The canonical SMILES for 2-ethenylidenepent-4-enal is C=C=C(C=O)CC=C.
What is the InChIKey of 2-ethenylidenepent-4-enal?
The InChIKey is DWKAITXEDKPEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-3-5-7(4-2)6-8/h3,6H,1-2,5H2.
What are the key properties of 2-ethenylidenepent-4-enal?
2-ethenylidenepent-4-enal has a molecular weight of 108.14 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidenepent-4-enal is sourced from PubChem (CID 25179787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).