2-acetamido-N-methylpent-4-enamide

C8H14N2O2 — CID 58637759

IUPAC2-acetamido-N-methylpent-4-enamide
SMILESC=CCC(NC(C)=O)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-5-7(8(12)9-3)10-6(2)11/h4,7H,1,5H2,2-3H3,(H,9,12)(H,10,11)
InChIKeyWYRCAMJBEOVLJM-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds4

About 2-acetamido-N-methylpent-4-enamide

2-acetamido-N-methylpent-4-enamide (PubChem CID 58637759) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-acetamido-N-methylpent-4-enamide.

Molecular Properties

Compound Name2-acetamido-N-methylpent-4-enamide
PubChem CID58637759
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-acetamido-N-methylpent-4-enamide
SMILESC=CCC(NC(C)=O)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-5-7(8(12)9-3)10-6(2)11/h4,7H,1,5H2,2-3H3,(H,9,12)(H,10,11)
InChIKeyWYRCAMJBEOVLJM-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-acetamido-N-methylpent-4-enamide?
The IUPAC name of 2-acetamido-N-methylpent-4-enamide (CID 58637759) is 2-acetamido-N-methylpent-4-enamide.
What is the SMILES notation for 2-acetamido-N-methylpent-4-enamide?
The canonical SMILES for 2-acetamido-N-methylpent-4-enamide is C=CCC(NC(C)=O)C(=O)NC.
What is the InChIKey of 2-acetamido-N-methylpent-4-enamide?
The InChIKey is WYRCAMJBEOVLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-5-7(8(12)9-3)10-6(2)11/h4,7H,1,5H2,2-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-acetamido-N-methylpent-4-enamide?
2-acetamido-N-methylpent-4-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methylpent-4-enamide is sourced from PubChem (CID 58637759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).