2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione

C12H13NO4 — CID 13170159

IUPAC2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESC=COC1=CC(=O)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C12H13NO4/c1-2-17-12-8-10(14)9(7-11(12)15)13-3-5-16-6-4-13/h2,7-8H,1,3-6H2
InChIKeyFFJDMLBAXSKGKN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.40
Rot. Bonds3

About 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione

2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 13170159) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID13170159
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESC=COC1=CC(=O)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C12H13NO4/c1-2-17-12-8-10(14)9(7-11(12)15)13-3-5-16-6-4-13/h2,7-8H,1,3-6H2
InChIKeyFFJDMLBAXSKGKN-UHFFFAOYSA-N
XLogP0.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (CID 13170159) is 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is C=COC1=CC(=O)C(N2CCOCC2)=CC1=O.
What is the InChIKey of 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is FFJDMLBAXSKGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-17-12-8-10(14)9(7-11(12)15)13-3-5-16-6-4-13/h2,7-8H,1,3-6H2.
What are the key properties of 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 13170159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).