4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid

C10H15NO3 — CID 79688030

IUPAC4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(N2CCOCC2)C1
InChIInChI=1S/C10H15NO3/c12-10(13)8-1-2-9(7-8)11-3-5-14-6-4-11/h1-2,8-9H,3-7H2,(H,12,13)
InChIKeyGDYNKMMAIQAPPS-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.35
Rot. Bonds2

About 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid

4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid (PubChem CID 79688030) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid
PubChem CID79688030
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(N2CCOCC2)C1
InChIInChI=1S/C10H15NO3/c12-10(13)8-1-2-9(7-8)11-3-5-14-6-4-11/h1-2,8-9H,3-7H2,(H,12,13)
InChIKeyGDYNKMMAIQAPPS-UHFFFAOYSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid (CID 79688030) is 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(N2CCOCC2)C1.
What is the InChIKey of 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid?
The InChIKey is GDYNKMMAIQAPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-10(13)8-1-2-9(7-8)11-3-5-14-6-4-11/h1-2,8-9H,3-7H2,(H,12,13).
What are the key properties of 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid?
4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79688030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).