4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione

C14H22N2O2 — CID 14974917

IUPAC4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione
SMILESCCN(CC)C1=CC(=O)C(=O)C=C1N(CC)CC
InChIInChI=1S/C14H22N2O2/c1-5-15(6-2)11-9-13(17)14(18)10-12(11)16(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyOWVZVJTVGBPQAP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.59
Rot. Bonds6

About 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione

4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione (PubChem CID 14974917) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione
PubChem CID14974917
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione
SMILESCCN(CC)C1=CC(=O)C(=O)C=C1N(CC)CC
InChIInChI=1S/C14H22N2O2/c1-5-15(6-2)11-9-13(17)14(18)10-12(11)16(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyOWVZVJTVGBPQAP-UHFFFAOYSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.59
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

4,5-Diethylenimino-o-benzoquinone
CID 10313461
4,5-Bis(azetidin-1-yl)cyclohexa-3,5-diene-1,2-dione
CID 14974915
4,5-Dipyrrolidin-1-ylcyclohexa-3,5-diene-1,2-dione
CID 14974916
4,5-Bis(dimethylamino)benzo-1,2-quinone
CID 637956
1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-7,8-dione
CID 139224649
1,5,6-trimethyl-3,4-dihydro-2H-1,5-benzodiazepine-7,8-dione
CID 139224650
1,5-diethyl-3,4-dihydro-2H-1,5-benzodiazepine-7,8-dione
CID 139224652
1,5-diethyl-6-methyl-3,4-dihydro-2H-1,5-benzodiazepine-7,8-dione
CID 139224653
4,5-Bis(ethylamino)cyclohexa-3,5-diene-1,2-dione
CID 18981330
3-(Diethylamino)cyclohexa-2,4-dien-1-one
CID 20467144
4,5-Bis(dimethylamino)pent-3-en-2-one
CID 3524408
4,5-Bis(diethylamino)pent-3-en-2-one
CID 4570184

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione (CID 14974917) is 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione is CCN(CC)C1=CC(=O)C(=O)C=C1N(CC)CC.
What is the InChIKey of 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione?
The InChIKey is OWVZVJTVGBPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-15(6-2)11-9-13(17)14(18)10-12(11)16(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione?
4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione has a molecular weight of 250.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(diethylamino)cyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 14974917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).