2-propan-2-ylpent-4-enamide

C8H15NO — CID 9297

IUPAC2-propan-2-ylpent-4-enamide
SMILESC=CCC(C(N)=O)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-7(6(2)3)8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)
InChIKeyHINLFAQOKAHXOD-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.32
Rot. Bonds4

About 2-propan-2-ylpent-4-enamide

2-propan-2-ylpent-4-enamide (PubChem CID 9297) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-propan-2-ylpent-4-enamide
PubChem CID9297
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-propan-2-ylpent-4-enamide
SMILESC=CCC(C(N)=O)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-7(6(2)3)8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)
InChIKeyHINLFAQOKAHXOD-UHFFFAOYSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpent-4-enamide?
The IUPAC name of 2-propan-2-ylpent-4-enamide (CID 9297) is 2-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-propan-2-ylpent-4-enamide is C=CCC(C(N)=O)C(C)C.
What is the InChIKey of 2-propan-2-ylpent-4-enamide?
The InChIKey is HINLFAQOKAHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(6(2)3)8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10).
What are the key properties of 2-propan-2-ylpent-4-enamide?
2-propan-2-ylpent-4-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpent-4-enamide is sourced from PubChem (CID 9297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).