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

C10H11NO3 — CID 10058429

IUPAC2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(N2CCOCC2)=C1
InChIInChI=1S/C10H11NO3/c12-8-1-2-10(13)9(7-8)11-3-5-14-6-4-11/h1-2,7H,3-6H2
InChIKeyVNPPTLVCKNOXOQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.09
Rot. Bonds1

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

2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 10058429) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID10058429
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(N2CCOCC2)=C1
InChIInChI=1S/C10H11NO3/c12-8-1-2-10(13)9(7-8)11-3-5-14-6-4-11/h1-2,7H,3-6H2
InChIKeyVNPPTLVCKNOXOQ-UHFFFAOYSA-N
XLogP-0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.09
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-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione (CID 10058429) is 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(N2CCOCC2)=C1.
What is the InChIKey of 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is VNPPTLVCKNOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-1-2-10(13)9(7-8)11-3-5-14-6-4-11/h1-2,7H,3-6H2.
What are the key properties of 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione?
2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 193.20 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10058429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).