N-pent-4-en-2-ylacetamide

C7H13NO — CID 12758758

IUPACN-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(C)=O
InChIInChI=1S/C7H13NO/c1-4-5-6(2)8-7(3)9/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyNVQJRNTYBPSJCY-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds3

About N-pent-4-en-2-ylacetamide

N-pent-4-en-2-ylacetamide (PubChem CID 12758758) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-pent-4-en-2-ylacetamide.

Molecular Properties

Compound NameN-pent-4-en-2-ylacetamide
PubChem CID12758758
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(C)=O
InChIInChI=1S/C7H13NO/c1-4-5-6(2)8-7(3)9/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyNVQJRNTYBPSJCY-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
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 N-pent-4-en-2-ylacetamide?
The IUPAC name of N-pent-4-en-2-ylacetamide (CID 12758758) is N-pent-4-en-2-ylacetamide.
What is the SMILES notation for N-pent-4-en-2-ylacetamide?
The canonical SMILES for N-pent-4-en-2-ylacetamide is C=CCC(C)NC(C)=O.
What is the InChIKey of N-pent-4-en-2-ylacetamide?
The InChIKey is NVQJRNTYBPSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6(2)8-7(3)9/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-pent-4-en-2-ylacetamide?
N-pent-4-en-2-ylacetamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-ylacetamide is sourced from PubChem (CID 12758758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).