N-ethyl-2-methylpent-2-enamide

C8H15NO — CID 66723810

IUPACN-ethyl-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC
InChIInChI=1S/C8H15NO/c1-4-6-7(3)8(10)9-5-2/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyHJIOEZJEDDLJBN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About N-ethyl-2-methylpent-2-enamide

N-ethyl-2-methylpent-2-enamide (PubChem CID 66723810) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethyl-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methylpent-2-enamide
PubChem CID66723810
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethyl-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC
InChIInChI=1S/C8H15NO/c1-4-6-7(3)8(10)9-5-2/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyHJIOEZJEDDLJBN-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpent-2-enamide?
The IUPAC name of N-ethyl-2-methylpent-2-enamide (CID 66723810) is N-ethyl-2-methylpent-2-enamide.
What is the SMILES notation for N-ethyl-2-methylpent-2-enamide?
The canonical SMILES for N-ethyl-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-methylpent-2-enamide?
The InChIKey is HJIOEZJEDDLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-7(3)8(10)9-5-2/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-ethyl-2-methylpent-2-enamide?
N-ethyl-2-methylpent-2-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 N-ethyl-2-methylpent-2-enamide is sourced from PubChem (CID 66723810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).