1-acetamidocyclopent-2-ene-1-carboxylic acid

C8H11NO3 — CID 23496770

IUPAC1-acetamidocyclopent-2-ene-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)C=CCC1
InChIInChI=1S/C8H11NO3/c1-6(10)9-8(7(11)12)4-2-3-5-8/h2,4H,3,5H2,1H3,(H,9,10)(H,11,12)
InChIKeyLFOSFZJETGWAOM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds2

About 1-acetamidocyclopent-2-ene-1-carboxylic acid

1-acetamidocyclopent-2-ene-1-carboxylic acid (PubChem CID 23496770) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-acetamidocyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamidocyclopent-2-ene-1-carboxylic acid
PubChem CID23496770
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-acetamidocyclopent-2-ene-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)C=CCC1
InChIInChI=1S/C8H11NO3/c1-6(10)9-8(7(11)12)4-2-3-5-8/h2,4H,3,5H2,1H3,(H,9,10)(H,11,12)
InChIKeyLFOSFZJETGWAOM-UHFFFAOYSA-N
XLogP0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.30
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 1-acetamidocyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 1-acetamidocyclopent-2-ene-1-carboxylic acid (CID 23496770) is 1-acetamidocyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 1-acetamidocyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 1-acetamidocyclopent-2-ene-1-carboxylic acid is CC(=O)NC1(C(=O)O)C=CCC1.
What is the InChIKey of 1-acetamidocyclopent-2-ene-1-carboxylic acid?
The InChIKey is LFOSFZJETGWAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)9-8(7(11)12)4-2-3-5-8/h2,4H,3,5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 1-acetamidocyclopent-2-ene-1-carboxylic acid?
1-acetamidocyclopent-2-ene-1-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamidocyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 23496770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).