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

C11H13NO3 — CID 610024

IUPAC2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C11H13NO3/c1-8-6-11(14)9(7-10(8)13)12-2-4-15-5-3-12/h6-7H,2-5H2,1H3
InChIKeyABHMRPVSHNSBMS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.30
Rot. Bonds1

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

2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 610024) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID610024
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C11H13NO3/c1-8-6-11(14)9(7-10(8)13)12-2-4-15-5-3-12/h6-7H,2-5H2,1H3
InChIKeyABHMRPVSHNSBMS-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (CID 610024) is 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(N2CCOCC2)=CC1=O.
What is the InChIKey of 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is ABHMRPVSHNSBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-6-11(14)9(7-10(8)13)12-2-4-15-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 207.23 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 610024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).