2-methylidenepent-4-enal

C6H8O — CID 534293

IUPAC2-methylidenepent-4-enal
SMILESC=CCC(=C)C=O
InChIInChI=1S/C6H8O/c1-3-4-6(2)5-7/h3,5H,1-2,4H2
InChIKeyKUQQYMIMELKQHJ-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.32
Rot. Bonds3

About 2-methylidenepent-4-enal

2-methylidenepent-4-enal (PubChem CID 534293) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methylidenepent-4-enal.

Molecular Properties

Compound Name2-methylidenepent-4-enal
PubChem CID534293
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-methylidenepent-4-enal
SMILESC=CCC(=C)C=O
InChIInChI=1S/C6H8O/c1-3-4-6(2)5-7/h3,5H,1-2,4H2
InChIKeyKUQQYMIMELKQHJ-UHFFFAOYSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.32
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
Ethylacrolein
CID 70203
4-Methylene-5-hexenal
CID 548982
2-Methylenepentanal
CID 70609
3-Methylidenepent-4-enal
CID 10887834
1,4-Cyclohexadiene-1-carboxaldehyde
CID 12502502
2-Methylene-3-butenal
CID 12921732
2-Methylidenehex-5-enal
CID 53756826
2-Allyl-2,6-heptadienal
CID 86222207
2-Ethenylidenepent-4-enal
CID 25179787
4-Methyl-2-methylidenepent-4-enal
CID 13737136
3-Methyl-2-methylidenebut-3-enal
CID 18769664

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepent-4-enal?
The IUPAC name of 2-methylidenepent-4-enal (CID 534293) is 2-methylidenepent-4-enal.
What is the SMILES notation for 2-methylidenepent-4-enal?
The canonical SMILES for 2-methylidenepent-4-enal is C=CCC(=C)C=O.
What is the InChIKey of 2-methylidenepent-4-enal?
The InChIKey is KUQQYMIMELKQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-4-6(2)5-7/h3,5H,1-2,4H2.
What are the key properties of 2-methylidenepent-4-enal?
2-methylidenepent-4-enal has a molecular weight of 96.13 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepent-4-enal is sourced from PubChem (CID 534293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).