5-acetamido-3-ethylidenehex-4-enoic acid

C10H15NO3 — CID 123544700

IUPAC5-acetamido-3-ethylidenehex-4-enoic acid
SMILESCC=C(C=C(C)NC(C)=O)CC(=O)O
InChIInChI=1S/C10H15NO3/c1-4-9(6-10(13)14)5-7(2)11-8(3)12/h4-5H,6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyGMJAHHIXSPUIOK-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.45
Rot. Bonds4

About 5-acetamido-3-ethylidenehex-4-enoic acid

5-acetamido-3-ethylidenehex-4-enoic acid (PubChem CID 123544700) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-acetamido-3-ethylidenehex-4-enoic acid.

Molecular Properties

Compound Name5-acetamido-3-ethylidenehex-4-enoic acid
PubChem CID123544700
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-acetamido-3-ethylidenehex-4-enoic acid
SMILESCC=C(C=C(C)NC(C)=O)CC(=O)O
InChIInChI=1S/C10H15NO3/c1-4-9(6-10(13)14)5-7(2)11-8(3)12/h4-5H,6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyGMJAHHIXSPUIOK-UHFFFAOYSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 130084026
CID 130084026
CID 130084031
CID 130084031
CID 60105664
CID 60105664
CID 66819655
CID 66819655
CID 68274175
CID 68274175
CID 68274212
CID 68274212
CID 69780581
CID 69780581
CID 89035004
CID 89035004
CID 105433294
CID 105433294
CID 123506827
CID 123506827
CID 131118442
CID 131118442
CID 134406130
CID 134406130

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-ethylidenehex-4-enoic acid?
The IUPAC name of 5-acetamido-3-ethylidenehex-4-enoic acid (CID 123544700) is 5-acetamido-3-ethylidenehex-4-enoic acid.
What is the SMILES notation for 5-acetamido-3-ethylidenehex-4-enoic acid?
The canonical SMILES for 5-acetamido-3-ethylidenehex-4-enoic acid is CC=C(C=C(C)NC(C)=O)CC(=O)O.
What is the InChIKey of 5-acetamido-3-ethylidenehex-4-enoic acid?
The InChIKey is GMJAHHIXSPUIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-9(6-10(13)14)5-7(2)11-8(3)12/h4-5H,6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-acetamido-3-ethylidenehex-4-enoic acid?
5-acetamido-3-ethylidenehex-4-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3-ethylidenehex-4-enoic acid is sourced from PubChem (CID 123544700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).