2-ethoxy-N-pent-4-en-2-ylacetamide

C9H17NO2 — CID 115631371

IUPAC2-ethoxy-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)COCC
InChIInChI=1S/C9H17NO2/c1-4-6-8(3)10-9(11)7-12-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyWSIVWXCXQIPKOY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds6

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

2-ethoxy-N-pent-4-en-2-ylacetamide (PubChem CID 115631371) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethoxy-N-pent-4-en-2-ylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-pent-4-en-2-ylacetamide
PubChem CID115631371
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethoxy-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)COCC
InChIInChI=1S/C9H17NO2/c1-4-6-8(3)10-9(11)7-12-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyWSIVWXCXQIPKOY-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-ethoxy-N-pent-4-en-2-ylacetamide?
The IUPAC name of 2-ethoxy-N-pent-4-en-2-ylacetamide (CID 115631371) is 2-ethoxy-N-pent-4-en-2-ylacetamide.
What is the SMILES notation for 2-ethoxy-N-pent-4-en-2-ylacetamide?
The canonical SMILES for 2-ethoxy-N-pent-4-en-2-ylacetamide is C=CCC(C)NC(=O)COCC.
What is the InChIKey of 2-ethoxy-N-pent-4-en-2-ylacetamide?
The InChIKey is WSIVWXCXQIPKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-8(3)10-9(11)7-12-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of 2-ethoxy-N-pent-4-en-2-ylacetamide?
2-ethoxy-N-pent-4-en-2-ylacetamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-pent-4-en-2-ylacetamide is sourced from PubChem (CID 115631371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).