2-methylidenepent-4-enamide

C6H9NO — CID 18352041

IUPAC2-methylidenepent-4-enamide
SMILESC=CCC(=C)C(N)=O
InChIInChI=1S/C6H9NO/c1-3-4-5(2)6(7)8/h3H,1-2,4H2,(H2,7,8)
InChIKeyNEYZEAGIQGFPMH-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.60
Rot. Bonds3

About 2-methylidenepent-4-enamide

2-methylidenepent-4-enamide (PubChem CID 18352041) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methylidenepent-4-enamide.

Molecular Properties

Compound Name2-methylidenepent-4-enamide
PubChem CID18352041
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methylidenepent-4-enamide
SMILESC=CCC(=C)C(N)=O
InChIInChI=1S/C6H9NO/c1-3-4-5(2)6(7)8/h3H,1-2,4H2,(H2,7,8)
InChIKeyNEYZEAGIQGFPMH-UHFFFAOYSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylacrylamide
CID 1277665
Propylacrylamide
CID 12525274
Cyclohexa-1,4-diene-1-carboxamide
CID 13438613
3-Methyl-2-methylidenebutanamide
CID 18798109
Vinylacrylamide
CID 21918081
Mercapto ethylacrylamide
CID 129851681
3-Fluoro-2-methylidenepent-4-enamide
CID 87881753
2-(Difluoromethylidene)pent-4-enamide
CID 88728991
(2Z)-2-(fluoromethylidene)butanamide
CID 89339098
(2E)-2-(fluoromethylidene)butanamide
CID 90023210
2-(Fluoromethylidene)butanamide
CID 140678663
5-Fluoro-2-methylidenepent-4-enamide
CID 173182700

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepent-4-enamide?
The IUPAC name of 2-methylidenepent-4-enamide (CID 18352041) is 2-methylidenepent-4-enamide.
What is the SMILES notation for 2-methylidenepent-4-enamide?
The canonical SMILES for 2-methylidenepent-4-enamide is C=CCC(=C)C(N)=O.
What is the InChIKey of 2-methylidenepent-4-enamide?
The InChIKey is NEYZEAGIQGFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-5(2)6(7)8/h3H,1-2,4H2,(H2,7,8).
What are the key properties of 2-methylidenepent-4-enamide?
2-methylidenepent-4-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepent-4-enamide is sourced from PubChem (CID 18352041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).