(E)-2-methyl-N-propylbut-2-enamide

C8H15NO — CID 18927838

IUPAC(E)-2-methyl-N-propylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCCC
InChIInChI=1S/C8H15NO/c1-4-6-9-8(10)7(3)5-2/h5H,4,6H2,1-3H3,(H,9,10)/b7-5+
InChIKeyLAVHFKDLIUKFBO-FNORWQNLSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About (E)-2-methyl-N-propylbut-2-enamide

(E)-2-methyl-N-propylbut-2-enamide (PubChem CID 18927838) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-2-methyl-N-propylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-propylbut-2-enamide
PubChem CID18927838
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-2-methyl-N-propylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCCC
InChIInChI=1S/C8H15NO/c1-4-6-9-8(10)7(3)5-2/h5H,4,6H2,1-3H3,(H,9,10)/b7-5+
InChIKeyLAVHFKDLIUKFBO-FNORWQNLSA-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'}

Analyze (E)-2-methyl-N-propylbut-2-enamide 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 (E)-2-methyl-N-propylbut-2-enamide?
The IUPAC name of (E)-2-methyl-N-propylbut-2-enamide (CID 18927838) is (E)-2-methyl-N-propylbut-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-propylbut-2-enamide?
The canonical SMILES for (E)-2-methyl-N-propylbut-2-enamide is C/C=C(\C)C(=O)NCCC.
What is the InChIKey of (E)-2-methyl-N-propylbut-2-enamide?
The InChIKey is LAVHFKDLIUKFBO-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-9-8(10)7(3)5-2/h5H,4,6H2,1-3H3,(H,9,10)/b7-5+.
What are the key properties of (E)-2-methyl-N-propylbut-2-enamide?
(E)-2-methyl-N-propylbut-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 (E)-2-methyl-N-propylbut-2-enamide is sourced from PubChem (CID 18927838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).