3-methyl-N-propan-2-ylbut-3-enamide

C8H15NO — CID 59532905

IUPAC3-methyl-N-propan-2-ylbut-3-enamide
SMILESC=C(C)CC(=O)NC(C)C
InChIInChI=1S/C8H15NO/c1-6(2)5-8(10)9-7(3)4/h7H,1,5H2,2-4H3,(H,9,10)
InChIKeyWMAATIWELZHLGL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About 3-methyl-N-propan-2-ylbut-3-enamide

3-methyl-N-propan-2-ylbut-3-enamide (PubChem CID 59532905) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylbut-3-enamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylbut-3-enamide
PubChem CID59532905
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methyl-N-propan-2-ylbut-3-enamide
SMILESC=C(C)CC(=O)NC(C)C
InChIInChI=1S/C8H15NO/c1-6(2)5-8(10)9-7(3)4/h7H,1,5H2,2-4H3,(H,9,10)
InChIKeyWMAATIWELZHLGL-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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 3-methyl-N-propan-2-ylbut-3-enamide?
The IUPAC name of 3-methyl-N-propan-2-ylbut-3-enamide (CID 59532905) is 3-methyl-N-propan-2-ylbut-3-enamide.
What is the SMILES notation for 3-methyl-N-propan-2-ylbut-3-enamide?
The canonical SMILES for 3-methyl-N-propan-2-ylbut-3-enamide is C=C(C)CC(=O)NC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-ylbut-3-enamide?
The InChIKey is WMAATIWELZHLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)5-8(10)9-7(3)4/h7H,1,5H2,2-4H3,(H,9,10).
What are the key properties of 3-methyl-N-propan-2-ylbut-3-enamide?
3-methyl-N-propan-2-ylbut-3-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylbut-3-enamide is sourced from PubChem (CID 59532905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).