4-methyl-2-methylidenepent-3-enal

C7H10O — CID 118287725

IUPAC4-methyl-2-methylidenepent-3-enal
SMILESC=C(C=O)C=C(C)C
InChIInChI=1S/C7H10O/c1-6(2)4-7(3)5-8/h4-5H,3H2,1-2H3
InChIKeyAOGAIXYOHKMEKU-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds2

About 4-methyl-2-methylidenepent-3-enal

4-methyl-2-methylidenepent-3-enal (PubChem CID 118287725) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-methyl-2-methylidenepent-3-enal.

Molecular Properties

Compound Name4-methyl-2-methylidenepent-3-enal
PubChem CID118287725
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name4-methyl-2-methylidenepent-3-enal
SMILESC=C(C=O)C=C(C)C
InChIInChI=1S/C7H10O/c1-6(2)4-7(3)5-8/h4-5H,3H2,1-2H3
InChIKeyAOGAIXYOHKMEKU-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.71
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'}

Analyze 4-methyl-2-methylidenepent-3-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidenepent-3-enal?
The IUPAC name of 4-methyl-2-methylidenepent-3-enal (CID 118287725) is 4-methyl-2-methylidenepent-3-enal.
What is the SMILES notation for 4-methyl-2-methylidenepent-3-enal?
The canonical SMILES for 4-methyl-2-methylidenepent-3-enal is C=C(C=O)C=C(C)C.
What is the InChIKey of 4-methyl-2-methylidenepent-3-enal?
The InChIKey is AOGAIXYOHKMEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6(2)4-7(3)5-8/h4-5H,3H2,1-2H3.
What are the key properties of 4-methyl-2-methylidenepent-3-enal?
4-methyl-2-methylidenepent-3-enal has a molecular weight of 110.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidenepent-3-enal is sourced from PubChem (CID 118287725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).