4-morpholin-4-ylcyclopent-4-ene-1,3-dione

C9H11NO3 — CID 131989608

IUPAC4-morpholin-4-ylcyclopent-4-ene-1,3-dione
SMILESO=C1C=C(N2CCOCC2)C(=O)C1
InChIInChI=1S/C9H11NO3/c11-7-5-8(9(12)6-7)10-1-3-13-4-2-10/h5H,1-4,6H2
InChIKeyLEWNGMHRJAGCLN-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.26
Rot. Bonds1

About 4-morpholin-4-ylcyclopent-4-ene-1,3-dione

4-morpholin-4-ylcyclopent-4-ene-1,3-dione (PubChem CID 131989608) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-morpholin-4-ylcyclopent-4-ene-1,3-dione
PubChem CID131989608
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-morpholin-4-ylcyclopent-4-ene-1,3-dione
SMILESO=C1C=C(N2CCOCC2)C(=O)C1
InChIInChI=1S/C9H11NO3/c11-7-5-8(9(12)6-7)10-1-3-13-4-2-10/h5H,1-4,6H2
InChIKeyLEWNGMHRJAGCLN-UHFFFAOYSA-N
XLogP-0.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclopent-4-ene-1,3-dione?
The IUPAC name of 4-morpholin-4-ylcyclopent-4-ene-1,3-dione (CID 131989608) is 4-morpholin-4-ylcyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-morpholin-4-ylcyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-morpholin-4-ylcyclopent-4-ene-1,3-dione is O=C1C=C(N2CCOCC2)C(=O)C1.
What is the InChIKey of 4-morpholin-4-ylcyclopent-4-ene-1,3-dione?
The InChIKey is LEWNGMHRJAGCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-7-5-8(9(12)6-7)10-1-3-13-4-2-10/h5H,1-4,6H2.
What are the key properties of 4-morpholin-4-ylcyclopent-4-ene-1,3-dione?
4-morpholin-4-ylcyclopent-4-ene-1,3-dione has a molecular weight of 181.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclopent-4-ene-1,3-dione is sourced from PubChem (CID 131989608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).