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

C10H11NO3 — CID 160852428

IUPAC3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=CC=C(N2CCOCC2)C1=O
InChIInChI=1S/C10H11NO3/c12-9-3-1-2-8(10(9)13)11-4-6-14-7-5-11/h1-3H,4-7H2
InChIKeySJKUYFOADNHLGN-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.09
Rot. Bonds1

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

3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione (PubChem CID 160852428) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
PubChem CID160852428
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=CC=C(N2CCOCC2)C1=O
InChIInChI=1S/C10H11NO3/c12-9-3-1-2-8(10(9)13)11-4-6-14-7-5-11/h1-3H,4-7H2
InChIKeySJKUYFOADNHLGN-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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Related Compounds

2,3-Dimethyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
CID 2308263
2-Morpholin-4-yl-[1,4]benzoquinone
CID 10058429
2-(Morpholin-4-yl)-2-cyclohexen-1-one
CID 11367372
2-Cyclopenten-1-one, 2-(4-morpholinyl)-
CID 12287487
5-Fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141520784
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(4-morpholinyl)-
CID 610024
3,4-Dimorpholin-4-ylcyclohexa-3,5-diene-1,2-dione
CID 69220456
2-Morpholin-4-ylcyclohepta-2,4,6-trien-1-one
CID 121216257
2-Amino-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 139390465
4-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141267365
6-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141431317
(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
CID 145369355

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione (CID 160852428) is 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione is O=C1C=CC=C(N2CCOCC2)C1=O.
What is the InChIKey of 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
The InChIKey is SJKUYFOADNHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-3-1-2-8(10(9)13)11-4-6-14-7-5-11/h1-3H,4-7H2.
What are the key properties of 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione?
3-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 3-morpholin-4-ylcyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 160852428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).