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

C11H13NO4 — CID 13170160

IUPAC2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C11H13NO4/c1-15-11-7-9(13)8(6-10(11)14)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyMUZDVGGITHIEJY-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.12
Rot. Bonds2

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

2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 13170160) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID13170160
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C11H13NO4/c1-15-11-7-9(13)8(6-10(11)14)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyMUZDVGGITHIEJY-UHFFFAOYSA-N
XLogP-0.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (CID 13170160) is 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is COC1=CC(=O)C(N2CCOCC2)=CC1=O.
What is the InChIKey of 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is MUZDVGGITHIEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-11-7-9(13)8(6-10(11)14)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 223.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 13170160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).