4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione

C10H11NO3 — CID 71368713

IUPAC4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=CC(N2CCOCC2)=CC1=O
InChIInChI=1S/C10H11NO3/c12-9-2-1-8(7-10(9)13)11-3-5-14-6-4-11/h1-2,7H,3-6H2
InChIKeyBHXCTQLBVUUZPR-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.09
Rot. Bonds1

About 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione

4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione (PubChem CID 71368713) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
PubChem CID71368713
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=CC(N2CCOCC2)=CC1=O
InChIInChI=1S/C10H11NO3/c12-9-2-1-8(7-10(9)13)11-3-5-14-6-4-11/h1-2,7H,3-6H2
InChIKeyBHXCTQLBVUUZPR-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': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione (CID 71368713) is 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione is O=C1C=CC(N2CCOCC2)=CC1=O.
What is the InChIKey of 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
The InChIKey is BHXCTQLBVUUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-2-1-8(7-10(9)13)11-3-5-14-6-4-11/h1-2,7H,3-6H2.
What are the key properties of 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
4-morpholin-4-ylcyclohexa-3,5-diene-1,2-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 4-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 71368713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).